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coenzyme M-coenzyme B heterodisulfide

Properties

Image

Occurences in reactions

MNX_ID

MNXM1145

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	7

formula

C₁₃H₂₂NO₁₀PS₃

charge

-4

mass

479.01654

reference

chebi:58411

InChIKey

OBGQLHXSMIBYLN-PWSUYJOCSA-J

InChI

InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/p-4/t10-,12+/m1/s1

SMILES

C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)CCCCCCSSCCS(=O)(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58411 chebi:58411	coenzyme M-coenzyme B heterodisulfide (2S,3S)-3-(phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoate CoM-S-S-CoB(4-)
metacyc.compound:CPD-1282 metacycM:CPD-1282	CoB-CoM heterodisulfide CoB-S-S-CoM N-{7-[(2-sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine N-{7-[(2-sulfoethyl)dithio]heptanoyl}-O3-phospho-L-threonine O3-phospho-N-{7-[2-(2-sulfoethyl)disulfan-1-yl]heptanoyl}-L-threonine coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide coenzyme M-HTP heterodisulfide
seed.compound:cpd02935 seedM:cpd02935	CoM-S-S-CoB CoB-CoM heterodisulfide CoB-S-S-CoM Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide Coenzyme M-HTP heterodisulfide N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine N-{7-[(2-sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine
CHEBI:18209 chebi:18209	CoM-S-S-CoB Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide Coenzyme M-HTP heterodisulfide N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE O-phosphono-N-{7-[(2-sulfoethyl)disulfanyl]heptanoyl}-L-threonine
kegg.compound:C04832 keggC:C04832	Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide CoM-S-S-CoB Coenzyme M-HTP heterodisulfide N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine
chebi:12619 chebi:13299 chebi:14012 chebi:23353 chebi:3809 chebi:45485 keggC:M_C04832 seedM:M_cpd02935	secondary/obsolete/fantasy identifier