(Q105280731)

English

(2R)-2-[2-[(5S,6S,7S,9R,16S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,2,3-Propanetricarboxylicacid,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)-

1 reference

based on heuristic

inferred from SMILES

mass

705.393555568 dalton

1 reference

1 reference

C₃₄H₅₉NO₁₄

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canonical SMILES

O=C(O)CC(C(=O)O)CC(=O)OC(CC(C)CCCCCCC(O)CC(O)C(N)C)C(OC(=O)CC(C(=O)O)CC(=O)O)C(C)CCCC

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isomeric 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

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found in taxon

Aspergillus niger

1 reference

stated in

Isolation and NMR characterization of fumonisin B2 and a new fumonisin B6 from Aspergillus niger

Identifiers

InChI

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+/m1/s1

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InChIKey

UXDPXZQHTDAXOZ-JNGDVCOQSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105280731)

(2R)-2-[2-[(5S,6S,7S,9R,16S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

Statements

Identifiers

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