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Vignatic acid B

Properties

Image

Occurences in reactions

MNX_ID

MNXM145297

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

formula

C₂₇H₄₁N₃O₇

charge

mass

519.29445

reference

chebi:172729

InChIKey

OPWAZQSWJQLOAK-UHFFFAOYSA-N

InChI

InChI=1S/C27H41N3O7/c1-14(2)11-19-24(32)29-20(27(35)36)13-17-7-9-18(10-8-17)37-23(16(5)6)22(26(34)28-19)30-25(33)21(31)12-15(3)4/h7-10,14-16,19-23,31H,11-13H2,1-6H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)

SMILES

CC(C)CC(O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)O)Cc2ccc(cc2)OC1C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172729 chebi:172729	Vignatic acid B 4-[(2-hydroxy-4-methylpentanoyl)amino]-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid
hmdb:HMDB0033617	Vignatic acid B 4-(2-hydroxy-4-methylpentanamido)-3-isopropyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 4-(2-hydroxy-4-methylpentanamido)-7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 4-[(1,2-Dihydroxy-4-methylpentylidene)amino]-5,8-dihydroxy-7-(2-methylpropyl)-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaene-10-carboxylate Vignatate b
hmdb:HMDB33617	secondary/obsolete/fantasy identifier