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octacosanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145792

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₄₉H₈₆N₇O₁₇P₃S

charge

-4

mass

1169.50357

reference

chebi:74141

InChIKey

HZPQKTICJQVCSW-YLJNVRNNSA-J

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

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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74141 chebi:74141	octacosanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) C28:0-CoA(4-) montanoyl-CoA(4-) montanoyl-coenzyme A(4-) octacosanoyl-CoA(4-) octacosanoyl-coenzyme A(4-)
kegg.compound:C21934 keggC:C21934	Montanoyl-CoA Octacosanoyl-CoA
lipidmaps:LMFA07050351 lipidmapsM:LMFA07050351	montanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) C28:0-CoA CoA 28:0 montanoyl-coenzyme A octacosanoyl-CoA octacosanoyl-coenzyme A
metacyc.compound:CPD-22003 metacycM:CPD-22003 SLM:000000626 slm:000000626	octacosanoyl-CoA
CHEBI:74150 chebi:74150	octacosanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) C28:0-CoA montanoyl-CoA montanoyl-coenzyme A octacosanoyl-coenzyme A
keggC:M_C21934	secondary/obsolete/fantasy identifier