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bacillaene

Properties

Image

Occurences in reactions

MNX_ID

MNXM102961

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

formula

C₃₄H₄₈N₂O₆

charge

mass

580.35124

reference

chebi:71623

InChIKey

KDQMRYTZELJKOB-MAHROAIDSA-N

InChI

InChI=1S/C34H48N2O6/c1-25(2)23-31(38)33(40)35-22-16-9-7-8-11-17-26(3)18-14-15-19-27(4)30(37)24-32(39)36-29(6)21-13-10-12-20-28(5)34(41)42/h7-21,25,28,30-31,37-38H,22-24H2,1-6H3,(H,35,40)(H,36,39)(H,41,42)/b8-7-,13-10+,15-14-,16-9+,17-11+,20-12+,26-18+,27-19-,29-21-

SMILES

C/C(=C/C=C/C=C/C(C)C(=O)O)NC(=O)CC(O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)C(O)CC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71623 chebi:71623	bacillaene (3E,5E,7Z)-8-({(4Z,6Z,8E,10E,12Z,14E)-3-hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethylhexadeca-4,6,8,10,12,14-hexaenoyl}amino)-2-methylnona-3,5,7-trienoic acid
seed.compound:cpd35807 seedM:cpd35807	(3E,5E,7Z)-8-({(4Z,6Z,8E,10E,12Z,14E)-3-hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethylhexadeca-4,6,8,10,12,14-hexaenoyl}amino)-2-methylnona-3,5,7-trienoate bacillaene
metacyc.compound:CPD-21467 metacycM:CPD-21467	bacillaene (3E,5E,7Z)-8-({(4Z,6Z,8E,10E,12Z,14E)-3-hydroxy-16-[(2-hydroxy-4-methylpentanoyl)amino]-4,9-dimethylhexadeca-4,6,8,10,12,14-hexaenoyl}amino)-2-methylnona-3,5,7-trienoate
seedM:M_cpd35807	secondary/obsolete/fantasy identifier