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fumonisin B1

MNXM5163 is deprecated and here replaced by MNXM737533
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737533 Image of MNXM737533
referencechebi:62554
formulaC34H56NO15
global charge-3
mol weight718.814
InChIKeyUVBUBMSSQKOIBE-DSLOAKGESA-K
InChIInChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/p-3/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
SMILESCCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 Image of MNXM737533
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:9][C@@H:20]([CH3:3])[C@H:32]([C@H:27]([CH2:13][C@@H:19]([CH3:2])[CH2:12][C@@H:24]([CH2:10][CH2:7][CH2:8][CH2:11][C@H:25]([CH2:18][C@@H:26]([C@H:21]([CH3:4])[NH2:35])[OH:38])[OH:37])[OH:36])[O:49][C:30]([CH2:16][C@@H:22]([CH2:14][C:28](=[O:39])[OH:40])[C:33](=[O:45])[OH:46])=[O:43])[O:50][C:31]([CH2:17][C@@H:23]([CH2:15][C:29](=[O:41])[OH:42])[C:34](=[O:47])[OH:48])=[O:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62554
chebi:62554
UVBUBMSSQKOIBE-DSLOAKGESA-K 		fumonisin B1
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-ammonio-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioate
fumonisin B1(3-)

kegg.compound:C19241
keggC:C19241
lipidmaps:LMSP01080022
lipidmapsM:LMSP01080022
UVBUBMSSQKOIBE-DSLOAKGESA-N 		Fumonisin B1

seed.compound:cpd20499
seedM:cpd20499
UVBUBMSSQKOIBE-DSLOAKGESA-K 		Fumonisin B1
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
fumonisin B1
hmdb:HMDB0034702
UVBUBMSSQKOIBE-DSLOAKGESA-N 		Fumonisin B1
2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioate
2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid
Fumonisin b(1)
Fumonisin b1
Fumonisin-b1
Fungal metabolite from fusarium monliforme
Macrofusin
Macrofusine
fumonisin B1

metacyc.compound:CPD-13181
metacycM:CPD-13181
UVBUBMSSQKOIBE-DSLOAKGESA-K 		fumonisin B1
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid

CHEBI:38221
chebi:38221
UVBUBMSSQKOIBE-DSLOAKGESA-N 		fumonisin B1
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
FB1
Fumonisin B1
Macrofusine

hmdb:HMDB34702
chebi:94970
keggC:M_C19241
seedM:M_cpd20499 		secondary/obsolete/fantasy identifier