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CHEBI:32073 - Pseudoecgonyl-CoA

Default Structure
ChEBI IDCHEBI:32073
ChEBI NamePseudoecgonyl-CoA
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC30H49N8O18P3S
Net Charge0
Average Mass934.749
Monoisotopic Mass934.20984
SMILESCN1C2CCC1[C@H](C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C2
InChIInChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1
InChIKeyLWFFRRDSDGEAQK-VISZMWHFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Pseudoecgonyl-CoA (CHEBI:32073) is a organic molecule (CHEBI:72695)
Synonym  Source
Pseudoecgonyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C12450KEGG COMPOUND
HMDB0006403HMDB