CHEBI:74150 - octacosanoyl-CoA

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ChEBI Name octacosanoyl-CoA
ChEBI ID CHEBI:74150
Definition An ultra-long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octacosanoic acid (montanic acid).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C49H90N7O17P3S
Net Charge 0
Average Mass 1174.26200
Monoisotopic Mass 1173.53268
InChI InChI=1S/C49H90N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h36-38,42-44,48,59-60H,4-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/t38-,42-,43-,44+,48-/m1/s1
InChIKey HZPQKTICJQVCSW-YLJNVRNNSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 octacosanoyl-CoA (CHEBI:74150) has functional parent octacosanoic acid (CHEBI:31001)
octacosanoyl-CoA (CHEBI:74150) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
octacosanoyl-CoA (CHEBI:74150) is conjugate acid of montanoyl-CoA(4−) (CHEBI:74141)
Incoming montanoyl-CoA(4−) (CHEBI:74141) is conjugate base of octacosanoyl-CoA (CHEBI:74150)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
C28:0-CoA ChEBI
montanoyl-CoA ChEBI
montanoyl-coenzyme A ChEBI
octacosanoyl-coenzyme A ChEBI
Last Modified
06 February 2019