CHEBI:63821 - (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA

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ChEBI Name (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA
ChEBI ID CHEBI:63821
ChEBI ASCII Name (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H68N7O18P3S
Net Charge 0
Average Mass 1096.02200
Monoisotopic Mass 1095.35544
InChI InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1
InChIKey VMAJWSSWCPBIJY-KPOVBLHLSA-N
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is a long-chain fatty acyl-CoA (CHEBI:33184)
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821) is conjugate acid of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852)
Incoming (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA(4−) (CHEBI:73852) is conjugate base of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoyl-CoA (CHEBI:63821)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z)-3-oxodocosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-oxo-(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA ChEBI
all-cis-7,10,13,16-3-oxodocosatetraenoyl-CoA ChEBI
Last Modified
31 May 2013