CHEBI:80508 - Citronellyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Citronellyl-CoA
ChEBI ID CHEBI:80508
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H52N7O17P3S
Net Charge 0
Average Mass 919.76800
Monoisotopic Mass 919.23533
InChI InChI=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
InChIKey VDDADDVBKMQECN-PBCNVRCISA-N
SMILES CC(CCC=C(C)C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing Citronellyl-CoA (CHEBI:80508) is a organic molecule (CHEBI:72695)
Manual Xref Database
C16464 KEGG COMPOUND
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Last Modified
27 January 2016