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CHEBI:80508 - Citronellyl-CoA

ChEBI IDCHEBI:80508
ChEBI NameCitronellyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC31H52N7O17P3S
Net Charge0
Average Mass919.778
Monoisotopic Mass919.23532
SMILESCC(C)=CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C31H52N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,16-17,19-20,24-26,30,41-42H,6,8-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t19?,20-,24-,25-,26?,30-/m1/s1
InChIKeyVDDADDVBKMQECN-PBCNVRCISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Citronellyl-CoA (CHEBI:80508) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16464KEGG COMPOUND