**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

6-deoxyerythronolide B

Properties

Image

Occurences in reactions

MNX_ID

MNXM2496

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₁H₃₈O₆

charge

mass

386.529

reference

chebi:16089

InChIKey

HQZOLNNEQAKEHT-IBBGRPSASA-N

InChI

InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1

SMILES

[CH3:1][CH2:8][C@@H:16]1[C@H:12]([CH3:4])[C@H:19]([OH:24])[C@@H:13]([CH3:5])[C:17](=[O:22])[C@H:10]([CH3:2])[CH2:9][C@H:11]([CH3:3])[C@H:18]([OH:23])[C@@H:14]([CH3:6])[C@H:20]([OH:25])[C@@H:15]([CH3:7])[C:21](=[O:26])[O:27]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16089 chebi:16089	6-deoxyerythronolide B (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione 3,5,11-Trihydroxyerythranolid-9-one 6,12-Dideoxy-erythronolide A 6-DEOXYERYTHRONOLIDE B 6-Deoxyerythronolide B
kegg.compound:C03240 keggC:C03240	6-Deoxyerythronolide B
seed.compound:cpd02075 seedM:cpd02075	6-Deoxyerythronolide B 6-deoxyerythronolide B
metacyc.compound:CPD-428 metacycM:CPD-428 lipidmaps:LMPK04000002 lipidmapsM:LMPK04000002	6-deoxyerythronolide B
chebi:12213 chebi:20715 chebi:2182 chebi:41952 keggC:M_C03240 seedM:M_cpd02075	secondary/obsolete/fantasy identifier