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CHEBI:74339 - (6Z)-hexadecenoyl-CoA(4−)

ChEBI IDCHEBI:74339
ChEBI Name(6Z)-hexadecenoyl-CoA(4−)
Stars
ASCII Name(6Z)-hexadecenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (6Z)-hexadecenoyl-CoA.
Last Modified2 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC37H60N7O17P3S
Net Charge-4
Average Mass999.908
Monoisotopic Mass999.30012
SMILESCCCCCCCCC/C=C\CCCCC(=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/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h12-13,24-26,30-32,36,47-48H,4-11,14-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b13-12-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyPVZUHJMOMJKUEF-HATLACBZSA-J
ChEBI Ontology
Outgoing Relation(s)
(6Z)-hexadecenoyl-CoA(4−) (CHEBI:74339) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(6Z)-hexadecenoyl-CoA(4−) (CHEBI:74339) is conjugate base of (6Z)-hexadecenoyl-CoA (CHEBI:74610)
Incoming Relation(s)
(6Z)-hexadecenoyl-CoA (CHEBI:74610) is conjugate acid of (6Z)-hexadecenoyl-CoA(4−) (CHEBI:74339)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(6Z)-hexadec-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
sapienoyl-CoA(4−)SUBMITTER
6-cis-hexadecenoyl-CoA(4−)SUBMITTER
C16:1(ω-10)-CoA(4−)ChEBI
6-cis-hexadecenoyl-coenzyme A(4−)ChEBI
sapienoyl-coenzyme A(4−)ChEBI
(6Z)-hexadecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(6Z)-hexadecenoyl-CoAUniProt