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

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dysidine

	Properties	Image
MNX_ID	MNXM104752
reference	chebi:65816
formula	C₂₃H₃₃NO₆S
global charge	0
mol weight	451.585
InChIKey	HHKUTKBQEPDLMV-CIVZFWGOSA-N
InChI	InChI=1S/C23H33NO6S/c1-14-6-5-7-17-15(2)22(3,8-9-23(14,17)4)13-16-20(26)18(12-19(25)21(16)27)24-10-11-31(28,29)30/h6,12,15,17,24,27H,5,7-11,13H2,1-4H3,(H,28,29,30)/t15-,17+,22-,23-/m1/s1
SMILES	CC1=CCC[C@H]2[C@@H](C)[C@@](C)(CC3=C(O)C(=O)C=C(NCCS(=O)(=O)O)C3=O)CC[C@]12C

MNX internals

InChI (mnx)	InChI=1/C23H33NO6S/c1-14-6-5-7-17-15(2)22(3,8-9-23(14,17)4)13-16-20(26)18(12-19(25)21(16)27)24-10-11-31(28,29)30/h6,12,15,17,24,27H,5,7-11,13H2,1-4H3,(H,28,29,30)/t15-,17+,22-,23-/m1/s1
SMILES (mnx)	[CH3:1][C:14]1=[CH:6][CH2:5][CH2:7][C@H:17]2[C@@H:15]([CH3:2])[C@@:22]([CH3:3])([CH2:13][C:16]3=[C:21]([OH:27])[C:19](=[O:25])[CH:12]=[C:18]([NH:24][CH2:10][CH2:11][S:31]([OH:28])(=[O:29])=[O:30])[C:20]3=[O:26])[CH2:8][CH2:9][C@:23]12[CH3:4]

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:65816 chebi:65816 HHKUTKBQEPDLMV-CIVZFWGOSA-N	dysidine 2-[(4-hydroxy-3,6-dioxo-5-{[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl]methyl}cyclohexa-1,4-dien-1-yl)amino]ethanesulfonic acid