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CHEBI:172777 - Leukotriene C5

ChEBI IDCHEBI:172777
ChEBI NameLeukotriene C5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H45N3O9S
Net Charge0
Average Mass623.769
Monoisotopic Mass623.28765
SMILESCC/C=C\C/C=C\C/C=C\C=C\C=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
InChIInChI=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
InChIKeyOSBTVMNXIHRFGN-KERZFGRDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
30776672ChemSpider
HMDB0012993HMDB