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CHEBI:74150 - octacosanoyl-CoA

ChEBI IDCHEBI:74150
ChEBI Nameoctacosanoyl-CoA
Stars
DefinitionAn 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).
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC49H90N7O17P3S
Net Charge0
Average Mass1174.280
Monoisotopic Mass1173.53268
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/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
InChIKeyHZPQKTICJQVCSW-YLJNVRNNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
octacosanoyl-CoA (CHEBI:74150) has functional parent octacosanoic acid (CHEBI:31001)
octacosanoyl-CoA (CHEBI:74150) is a saturated fatty acyl-CoA (CHEBI:231546)
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 Relation(s)
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  Source
montanoyl-CoAChEBI
octacosanoyl-coenzyme AChEBI
C28:0-CoAChEBI
montanoyl-coenzyme AChEBI