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CHEBI:76493 - (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4−)

ChEBI IDCHEBI:76493
ChEBI Name(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4−)
Stars
ASCII Name(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4-)
DefinitionA 2,3-trans-enoyl CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA; major species at pH 7.3.
Last Modified12 December 2013
Submitterlaimo
DownloadsMolfile
FormulaC47H68N7O17P3S
Net Charge-4
Average Mass1128.082
Monoisotopic Mass1127.36272
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC/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/C47H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h5-6,8-9,11-12,14-15,17-18,20-21,26-27,34-36,40-42,46,57-58H,4,7,10,13,16,19,22-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,27-26+/t36-,40-,41-,42+,46-/m1/s1
InChIKeyZMHVUCWDQCOLOQ-MPZIDFMYSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4−) (CHEBI:76493) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4−) (CHEBI:76493) is conjugate base of (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA (CHEBI:76673)
Incoming Relation(s)
(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA (CHEBI:76673) is conjugate acid of (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA(4−) (CHEBI:76493)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-2,8,11,14,17,20,23-heptaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2trans,8cis,11cis,14cis,17cis,20cis,23cis-hexacosaheptaenoyl-CoA(4−)SUBMITTER
(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoAUniProt