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

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Acarviosin

	Properties	Image
MNX_ID	MNXM151747
reference	chebi:188586
formula	C₁₄H₂₅NO₈
global charge	0
mol weight	335.353
InChIKey	KFHKERRGDZTZQJ-HHHVGSORSA-N
InChI	InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
SMILES	CO[C@H]1O[C@H](C)[C@@H](N[C@@H]2C=C(CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1
SMILES (mnx)	[CH3:1][C@@H:5]1[C@@H:8]([NH:15][C@@H:7]2[CH:3]=[C:6]([CH2:4][OH:16])[C@H:9]([OH:17])[C@@H:12]([OH:20])[C@@H:10]2[OH:18])[C@H:11]([OH:19])[C@@H:13]([OH:21])[C@@H:14]([O:22][CH3:2])[O:23]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:188586 chebi:188586 KFHKERRGDZTZQJ-HHHVGSORSA-N	Acarviosin (1R,2R,3S,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
hmdb:HMDB0247888 KFHKERRGDZTZQJ-UHFFFAOYSA-N	Acarviosin 6-[(4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl)amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol acarviosin
seed.compound:cpd34789 seedM:cpd34789 KFHKERRGDZTZQJ-HHHVGSORSA-N	Acarviosin acarviosin
metacyc.compound:CPD-17553 metacycM:CPD-17553 KFHKERRGDZTZQJ-HHHVGSORSA-N	acarviosin
seedM:M_cpd34789	secondary/obsolete/fantasy identifier