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CHEBI:57377 - cis-geranoyl-CoA(4−)

ChEBI IDCHEBI:57377
ChEBI Namecis-geranoyl-CoA(4−)
Stars
ASCII Namecis-geranoyl-CoA(4-)
DefinitionTetraanion of geranoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified13 November 2017
DownloadsMolfile
FormulaC31H46N7O17P3S
Net Charge-4
Average Mass913.730
Monoisotopic Mass913.19057
SMILESCC(C)=CCC/C(C)=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](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/C31H50N7O17P3S/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/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b19-13+/t20-,24-,25-,26+,30-/m1/s1
InChIKeyFWLPCGPDGSQPGT-WJGFBNMQSA-J
ChEBI Ontology
Outgoing Relation(s)
cis-geranoyl-CoA(4−) (CHEBI:57377) is a acyl-CoA(4−) (CHEBI:58342)
cis-geranoyl-CoA(4−) (CHEBI:57377) is conjugate base of cis-geranoyl-CoA (CHEBI:15523)
Incoming Relation(s)
cis-geranoyl-CoA (CHEBI:15523) is conjugate acid of cis-geranoyl-CoA(4−) (CHEBI:57377)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[((2Z)-3,7-dimethylocta-2,5-dienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen}
Synonym  Source
Z-geranoyl-CoA(4−)ChEBI
UniProt Name  Source
geranoyl-CoAUniProt