CHEBI:74141 - montanoyl-CoA(4−)

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ChEBI Name montanoyl-CoA(4−)
ChEBI ID CHEBI:74141
ChEBI ASCII Name montanoyl-CoA(4-)
Definition A saturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of montanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C49H86N7O17P3S
Net Charge -4
Average Mass 1170.23000
Monoisotopic Mass 1169.50357
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)/p-4/t38-,42-,43-,44+,48-/m1/s1
InChIKey HZPQKTICJQVCSW-YLJNVRNNSA-J
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
ChEBI Ontology
Outgoing montanoyl-CoA(4−) (CHEBI:74141) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
montanoyl-CoA(4−) (CHEBI:74141) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
montanoyl-CoA(4−) (CHEBI:74141) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
montanoyl-CoA(4−) (CHEBI:74141) is conjugate base of octacosanoyl-CoA (CHEBI:74150)
Incoming octacosanoyl-CoA (CHEBI:74150) is conjugate acid of montanoyl-CoA(4−) (CHEBI:74141)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms Sources
C28:0-CoA(4−) SUBMITTER
montanoyl-coenzyme A(4−) SUBMITTER
octacosanoyl-CoA UniProt
octacosanoyl-CoA(4−) SUBMITTER
octacosanoyl-coenzyme A(4−) ChEBI
Last Modified
13 March 2017