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(3S)-hydroxytetradecanedioyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146018

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

formula

C₃₅H₅₅N₇O₂₀P₃S

charge

-5

mass

1018.24629

reference

chebi:77038

InChIKey

FFGRDSVMHUQCLS-FPTUOSRSSA-I

InChI

InChI=1S/C35H60N7O20P3S/c1-35(2,30(49)33(50)38-14-13-24(44)37-15-16-66-26(47)17-22(43)11-9-7-5-3-4-6-8-10-12-25(45)46)19-59-65(56,57)62-64(54,55)58-18-23-29(61-63(51,52)53)28(48)34(60-23)42-21-41-27-31(36)39-20-40-32(27)42/h20-23,28-30,34,43,48-49H,3-19H2,1-2H3,(H,37,44)(H,38,50)(H,45,46)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/p-5/t22-,23+,28+,29+,30-,34+/m0/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77038 chebi:77038	(3S)-hydroxytetradecanedioyl-CoA (3S)-OH-C14:0-DCA-CoA(5-) (3S)-hydroxytetradecanedioyl-CoA(5-) (3S)-hydroxytetradecanedioyl-coenzyme A(5-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-13-carboxylato-3-hydroxytridecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000389435 slm:000389435	(3S)-hydroxytetradecanedioyl-CoA
CHEBI:77169 chebi:77169	(3S)-hydroxytetradecanedioyl-CoA (3S)-hydroxytetradecanedioyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-13-carboxy-3-hydroxytridecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}