U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H59NO15
Molecular Weight 721.83
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUMONISIN B1

SMILES

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

InChI

InChIKey=UVBUBMSSQKOIBE-DSLOAKGESA-N
InChI=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)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FUMONISIN B1
MI  
Common Name English
1,2,3-PROPANETRICARBOXYLIC ACID, 1,1'-((1S,2R)-1-((2S,4R,9R,11S,12S)-12-AMINO-4,9,11-TRIHYDROXY-2-METHYLTRIDECYL)-2-((1R)-1-METHYLPENTYL)-1,2-ETHANEDIYL) ESTER, (2R,2'R)-
Systematic Name English
FB1
Common Name English
MACROFUSINE
Common Name English
FUMONISIN B1 [IARC]
Common Name English
FUMONISIN B1 [MI]
Common Name English
NSC-629151
Code English
Classification Tree Code System Code
NCI_THESAURUS C674
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
Code System Code Type Description
HSDB
7077
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
CHEBI
38221
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
PUBCHEM
2733487
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
CHEBI
62554
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
NSC
629151
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID6020644
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
FDA UNII
3ZZM97XZ32
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
WIKIPEDIA
Fumonisin B1
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
MERCK INDEX
m5588
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY Merck Index
CAS
116355-83-0
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY
NCI_THESAURUS
C1107
Created by admin on Sat Dec 16 09:14:58 UTC 2023 , Edited by admin on Sat Dec 16 09:14:58 UTC 2023
PRIMARY