(Q105022579)

English

(5S,6R)-6-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

625.3033010839999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

leukotriene c4

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

11-trans-Leukotriene C4

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₇N₃O₉S

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canonical SMILES

CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O

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isomeric SMILES

CCCCCC=CCC=CC=CC=C[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O

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Identifiers

InChI

InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/t22-,23-,24-,25+/m0/s1

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InChIKey

GWNVDXQDILPJIG-OJJQZRKESA-N

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PubChem CID

439669

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GWNVDXQDILPJIG-OJJQZRKESA-N

1 reference

(Q105022579)

(5S,6R)-6-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

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