CHEBI:172777 - Leukotriene C5

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Leukotriene C5
ChEBI ID CHEBI:172777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H45N3O9S
Net Charge 0
Average Mass 623.760
Monoisotopic Mass 623.28765
InChI InChI=1S/C30H45N3O9S/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/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1
InChIKey OSBTVMNXIHRFGN-KERZFGRDSA-N
SMILES S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\C/C=C\CC)C[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Leukotriene C5 (CHEBI:172777) is a oligopeptide (CHEBI:25676)
IUPAC Name
(5S,6R,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
Manual Xrefs Databases
30776672 ChemSpider
HMDB0012993 HMDB
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