(Q103815871)

English

(2S)-2-[2-[(5R,6R,7S,8S,10R,15R,17S,18S)-18-amino-7-[(3S)-3,4-dicarboxybutanoyl]oxy-10,15,17-trihydroxy-5,8-dimethylnonadecan-6-yl]oxy-2-oxoethyl]butanedioic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-[18-Amino-7-(3,4-dicarboxybutanoyloxy)-10,15,17-trihydroxy-5,8-dimethylnonadecan-6-yl]oxy-2-oxoethyl]butanedioic acid

1 reference

based on heuristic

inferred from SMILES

mass

707.372820124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₇NO₁₅

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canonical SMILES

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

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found in taxon

Fusarium verticillioides

1 reference

stated in

Fumonisin production by Fusarium verticillioides strains isolated from maize in Mexico and development of a polymerase chain reaction to detect potential toxigenic strains in grains

Fusarium fujikuroi

1 reference

stated in

Fumonisin production by Fusarium verticillioides strains isolated from maize in Mexico and development of a polymerase chain reaction to detect potential toxigenic strains in grains

Identifiers

InChI

InChI=1S/C33H57NO15/c1-5-6-9-18(2)30(48-28(42)15-21(32(44)45)13-26(38)39)31(49-29(43)16-22(33(46)47)14-27(40)41)19(3)12-23(35)10-7-8-11-24(36)17-25(37)20(4)34/h18-25,30-31,35-37H,5-17,34H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t18-,19+,20+,21+,22+,23-,24-,25+,30-,31+/m1/s1

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InChIKey

YXBNQTGKGCNTPV-VCEHAEOKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YXBNQTGKGCNTPV-VCEHAEOKSA-N

1 reference

(Q103815871)

(2S)-2-[2-[(5R,6R,7S,8S,10R,15R,17S,18S)-18-amino-7-[(3S)-3,4-dicarboxybutanoyl]oxy-10,15,17-trihydroxy-5,8-dimethylnonadecan-6-yl]oxy-2-oxoethyl]butanedioic acid

Statements

Identifiers

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