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

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serotonin O-sulfate

	Properties	Image
MNX_ID	MNXM21733
reference	chebi:233042
formula	C₁₀H₁₂N₂O₄S
global charge	0
mol weight	256.283
InChIKey	JFWYSGGSCOOBGK-UHFFFAOYSA-N
InChI	InChI=1S/C10H12N2O4S/c11-4-3-7-6-12-10-2-1-8(5-9(7)10)16-17(13,14)15/h1-2,5-6,12H,3-4,11H2,(H,13,14,15)
SMILES	[NH3+]CCC1=CNC2=C1C=C(OS(=O)(=O)[O-])C=C2

MNX internals

InChI (mnx)	InChI=1/C10H12N2O4S/c11-4-3-7-6-12-10-2-1-8(5-9(7)10)16-17(13,14)15/h1-2,5-6,12H,3-4,11H2,(H,13,14,15)
SMILES (mnx)	[CH:1]1=[CH:2][C:10]2=[C:9]([CH:5]=[C:8]1[O:16][S:17]([OH:13])(=[O:14])=[O:15])[C:7]([CH2:3][CH2:4][NH2:11])=[CH:6][NH:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:233042 chebi:233042 JFWYSGGSCOOBGK-UHFFFAOYSA-N	serotonin O-sulfate 5-hydroxytryptamine O-sulfate serotonin O-sulfate zwitterion
seed.compound:cpd23045 seedM:cpd23045 JFWYSGGSCOOBGK-UHFFFAOYSA-N	1H-indol-5-ol, 3-(2-aminoethyl)-, hydrogen sulfate (ester) 3-(2-aminoethyl)-1H-indol-5-yl hydrogen sulfate 5-hydroxytryptamine O-sulfate serotonin O-sulfate
hmdb:HMDB0258257 JFWYSGGSCOOBGK-UHFFFAOYSA-N	Serotonin O-sulfate 5-Hydroxytryptamine O-sulfate 5-Hydroxytryptamine O-sulfate, sulfate Serotonin O-sulfuric acid Serotonin O-sulphate Serotonin O-sulphuric acid Serotonin sulfate [3-(2-Aminoethyl)-1H-indol-5-yl]oxidanesulfonate [3-(2-Aminoethyl)-1H-indol-5-yl]oxidanesulphonate [3-(2-Aminoethyl)-1H-indol-5-yl]oxidanesulphonic acid [3-(2-aminoethyl)-1H-indol-5-yl]oxidanesulfonic acid
metacyc.compound:CPD-11665 metacycM:CPD-11665 JFWYSGGSCOOBGK-UHFFFAOYSA-N	serotonin O-sulfate 1H-indol-5-ol, 3-(2-aminoethyl)-, hydrogen sulfate (ester) 3-(2-aminoethyl)-1H-indol-5-yl hydrogen sulfate 5-hydroxytryptamine O-sulfate
seedM:M_cpd23045	secondary/obsolete/fantasy identifier