按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥96%(GC), ≥99 atom% 13C, ≥75%(deacetylated)

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(R,R)-(-)-2,3-丁二醇
- ≥96%(GC)
CAS号 : 24347-58-8

分子式: C₄H₁₀O₂ 分子量: 90.12

IUPAC Name: (2R,3R)-butane-2,3-diol

SMILES: CC(C(C)O)O

InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N

InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
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D -葡萄糖-1-¹³C
- ≥99 atom% 13C
CAS号 : 40762-22-9 Compound CID : 12285878

分子式: 13CC₅H₁₂O₆ 分子量: 181.15

IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol

SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

InChIKey: WQZGKKKJIJFFOK-USBRANDWSA-N

InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
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4-甲氧基肉桂酸-2-乙基己酯
- ≥96%(GC)
CAS号 : 5466-77-3 Compound CID : 5355130

分子式: C₁₈H₂₆O₃ 分子量: 290.4

IUPAC Name: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate

SMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC

InChIKey: YBGZDTIWKVFICR-JLHYYAGUSA-N

InChI: InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
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二十碳五烯酸乙酯
- ≥96%(GC)
CAS号 : 86227-47-6 Compound CID : 9831415

分子式: C₂₂H₃₄O₂ 分子量: 330.51

IUPAC Name: ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

SMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC

InChIKey: SSQPWTVBQMWLSZ-AAQCHOMXSA-N

InChI: InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
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甘氨酸-2-13C
- ≥99 atom% 13C
CAS号 : 20220-62-6 Compound CID : 11105298

分子式: H₂N13CH₂CO₂H 分子量: 76.06

IUPAC Name: 2-aminoacetic acid

SMILES: C(C(=O)O)N

InChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-N

InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
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4-氯苯基苯砜
- ≥96%(GC)
CAS号 : 80-00-2 Compound CID : 6621

分子式: C₁₂H₉ClO₂S 分子量: 252.71

IUPAC Name: 1-(benzenesulfonyl)-4-chlorobenzene

SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChIKey: OFCFYWOKHPOXKF-UHFFFAOYSA-N

InChI: InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
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3,5-二甲基苯甲醛
- ≥96%(GC)
CAS号 : 5779-95-3 Compound CID : 34225

分子式: C₉H₁₀O 分子量: 134.18

IUPAC Name: 3,5-dimethylbenzaldehyde

SMILES: CC1=CC(=CC(=C1)C=O)C

InChIKey: NBEFMISJJNGCIZ-UHFFFAOYSA-N

InChI: InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
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小茴香醇
- ≥96%(GC)
CAS号 : 1632-73-1 Compound CID : 15406

分子式: C₁₀H₁₈O 分子量: 154.25

IUPAC Name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

SMILES: CC1(C2CCC(C2)(C1O)C)C

InChIKey: IAIHUHQCLTYTSF-UHFFFAOYSA-N

InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
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2-异丙基-5-甲基茴香醚
- ≥96%(GC)
CAS号 : 1076-56-8 Compound CID : 14104

分子式: C₁₁H₁₆O 分子量: 164.25

IUPAC Name: 2-methoxy-4-methyl-1-propan-2-ylbenzene

SMILES: CC1=CC(=C(C=C1)C(C)C)OC

InChIKey: LSQXNMXDFRRDSJ-UHFFFAOYSA-N

InChI: InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
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(+)-新薄荷醇
- ≥96%(GC)
CAS号 : 2216-52-6

分子式: C₁₀H₂₀O 分子量: 156.27

IUPAC Name: (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

SMILES: CC1CCC(C(C1)O)C(C)C

InChIKey: NOOLISFMXDJSKH-UTLUCORTSA-N

InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
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壳聚糖
- ≥75%(deacetylated)
CAS号 : 9012-76-4 Compound CID : 71853

分子式: (C₆H₁₁NO₄)n

IUPAC Name: methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

InChIKey: FLASNYPZGWUPSU-SICDJOISSA-N

InChI: InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
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棕榈酸-1-（¹³C）
- ≥99 atom% 13C
CAS号 : 57677-53-9 Compound CID : 9881577

分子式: (13C)C₁₅H₃₂O₂ 分子量: 257.42

IUPAC Name: (113C)hexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-N

InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
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