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heptadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104779

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	38

formula

C₃₈H₆₄N₇O₁₇P₃S

charge

-4

mass

1015.33142

reference

chebi:74307

InChIKey

DRABUZIHHACUPI-DUPKZGIXSA-J

InChI

InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t27-,31-,32-,33+,37-/m1/s1

SMILES

CCCCCCCCCCCCCCCCC(=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:74307 chebi:74307	heptadecanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) heptadecanoyl-CoA(4-) heptadecanoyl-coenzyme A(4-)
lipidmaps:LMFA07050325 lipidmapsM:LMFA07050325	Heptadecanoyl CoA CoA 17:0 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
hmdb:HMDB0006497	Heptadecanoyl CoA Heptadecanoate Heptadecanoic acid Heptadecanoic acid CoA Heptadecanoyl coenzyme A Heptadecanoyl-CoA Heptadecanoyl-coenzyme A Heptadecyl-CoA Heptadecyl-coenzyme A Margaric acid CoA Margaroyl coenzyme A N-Heptadecanoate N-Heptadecanoic acid N-Heptadecanoic acid coenzyme A S-Heptadecanoate S-Heptadecanoate coenzyme A S-Heptadecanoate-coenzyme A S-Heptadecanoic acid S-Heptadecanoyl CoA S-Heptadecanoyl coenzyme A [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxyphosphonic acid {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
bigg.metabolite:hpdcacoa biggM:hpdcacoa	Heptadecanoyl coa
metacyc.compound:CPD-14723 metacycM:CPD-14723 seed.compound:cpd32507 seedM:cpd32507 SLM:000000632 slm:000000632	heptadecanoyl-CoA
CHEBI:74397 chebi:74397	heptadecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) heptadecanoyl-coenzyme A
hmdb:HMDB06497 biggM:M_hpdcacoa seedM:M_cpd32507	secondary/obsolete/fantasy identifier