MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(S)-2-hydroxypropyl-coenzyme M

	Properties	Image
MNX_ID	MNXM2166
reference	chebi:58430
formula	C₅H₁₁O₄S₂
global charge	-1
mol weight	199.273
InChIKey	QWNJCCLFGYAGRK-YFKPBYRVSA-M
InChI	InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/p-1/t5-/m0/s1
SMILES	C[C@H](O)CSCCS(=O)(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:5]([CH2:4][S:10][CH2:2][CH2:3][S:11]([OH:7])(=[O:8])=[O:9])[OH:6]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58430 chebi:58430 QWNJCCLFGYAGRK-YFKPBYRVSA-M	(S)-2-hydroxypropyl-coenzyme M (S)-2-hydroxypropyl-CoM(1-) 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonate
metacyc.compound:2-S-HYDROXYPROPYL-COM metacycM:2-S-HYDROXYPROPYL-COM QWNJCCLFGYAGRK-YFKPBYRVSA-M	(2S)-2-hydroxypropyl-CoM
envipath:...69c7256981ed envipathM:...69c7256981ed QWNJCCLFGYAGRK-YFKPBYRVSA-M	(S)-2-Hydroxypropyl-CoM
kegg.compound:C11498 keggC:C11498 QWNJCCLFGYAGRK-YFKPBYRVSA-N	(S)-2-Hydroxypropyl-CoM (2S)-2-Hydroxypropyl-CoM
CHEBI:18288 chebi:18288 QWNJCCLFGYAGRK-YFKPBYRVSA-N	(S)-2-hydroxypropyl-CoM (S)-2-Hydroxypropyl-CoM 2-(S)-Hydroxypropyl-CoM 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
seed.compound:cpd08337 seedM:cpd08337 QWNJCCLFGYAGRK-YFKPBYRVSA-M	2-(S)-Hydroxypropyl-CoM (S)-2-Hydroxypropyl-CoM 2-(S)-hydroxypropyl-CoM
chebi:11471 chebi:18740 chebi:382 keggC:M_C11498 seedM:M_cpd08337	secondary/obsolete/fantasy identifier