CHEBI:57377 - cis-geranoyl-CoA(4−)

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ChEBI Name cis-geranoyl-CoA(4−)
ChEBI ID CHEBI:57377
ChEBI ASCII Name cis-geranoyl-CoA(4-)
Definition Tetraanion of geranoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H46N7O17P3S
Net Charge -4
Average Mass 913.72000
Monoisotopic Mass 913.19057
InChI InChI=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
InChIKey FWLPCGPDGSQPGT-WJGFBNMQSA-J
SMILES CC(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 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}
Synonyms Sources
geranoyl-CoA UniProt
Z-geranoyl-CoA(4−) ChEBI
Last Modified
13 November 2017