Fumonisin B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H59NO14
Molecular Weight	705.8306
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O

InChI

InChIKey=UXDPXZQHTDAXOZ-STOIETHLSA-N

InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H59NO14
Molecular Weight	705.8306
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ceramide synthase 2 2 Target ID: Q96G23 Gene ID: 29956.0 Gene Symbol: CERS2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1860857	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:36:36 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:36 GMT 2025`
Record UNII	UX4WHT4MKB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,3-Propanetricarboxylic acid, 1,1?-[(1S,2R)-1-[(2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2?R)-

Preferred Name

English

Fumonisin B2

Common Name

English

1,2,3-Propanetricarboxylic acid, 1,1?-[1-(12-amino-9,11-dihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl] ester, [2S-[1[1R*(S*),2S*(S*),2(S*)],2R*,9S*,11R*,12R*]]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80891857