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

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3-(N-morpholino)propanesulfonate

	Properties	Image
MNX_ID	MNXM734847
reference	chebi:39075
formula	C₇H₁₄NO₄S
global charge	-1
mol weight	208.259
InChIKey	DVLFYONBTKHTER-UHFFFAOYSA-M
InChI	InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)/p-1
SMILES	O=S(=O)([O-])CCCN1CCOCC1

MNX internals

InChI (mnx)	InChI=1/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
SMILES (mnx)	[CH2:1]([CH2:2][N:8]1[CH2:3][CH2:5][O:12][CH2:6][CH2:4]1)[CH2:7][S:13]([OH:9])(=[O:10])=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39075 chebi:39075 DVLFYONBTKHTER-UHFFFAOYSA-M	3-(N-morpholino)propanesulfonate 3-morpholin-4-ylpropane-1-sulfonate
CHEBI:39076 chebi:39076 DVLFYONBTKHTER-UHFFFAOYSA-N	3-(N-morpholiniumyl)propanesulfonate 3-morpholin-4-ium-4-ylpropane-1-sulfonate
metacyc.compound:CPD0-1958 metacycM:CPD0-1958 DVLFYONBTKHTER-UHFFFAOYSA-M	3-(N-morpholino)propanesulfonate 3-(N-morpholino)propanesulfonic acid MOPS morpholinopropane sulfonic acid
CHEBI:44115 chebi:44115 DVLFYONBTKHTER-UHFFFAOYSA-N	3-(N-morpholino)propanesulfonic acid 3-morpholin-4-ylpropane-1-sulfonic acid 3-morpholinopropanesulfonic acid 3[N-MORPHOLINO]PROPANE SULFONIC ACID MOPS morpholinopropane sulfonic acid
sabiork.compound:18788 sabiorkM:18788 DVLFYONBTKHTER-UHFFFAOYSA-N	3-N-Morpholinopropanesulfonic acid
hmdb:HMDB0254880 DVLFYONBTKHTER-UHFFFAOYSA-N	3[N-Morpholino]propane sulfonic acid 3-(N-Morpholino)propanesulfonic acid 3-(N-Morpholino)propanesulphonate 3-(N-Morpholino)propanesulphonic acid 3-(morpholin-4-yl)propane-1-sulfonic acid MOPS Morpholine propanesulphonic acid Morpholinopropane sulfonic acid morpholinopropanesulfonic acid
seed.compound:cpd11575 seedM:cpd11575 DVLFYONBTKHTER-UHFFFAOYSA-M	MOPS 3-(N-morpholino)propanesulfonate 3-(N-morpholino)propanesulfonic acid 3-(n-Morpholino)Propanesulfonic Acid mops morpholinopropane sulfonic acid
chebi:39070 chebi:44110 seedM:M_cpd11575	secondary/obsolete/fantasy identifier