(Q105322816)

English

2-[2-({19-Amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

group of stereoisomers with the chemical formula C₃₄H₅₉NO₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

689.398640948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₉NO₁₃

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canonical SMILES

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

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Identifiers

InChI

InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)

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InChIKey

WYYKRDVIBOEORL-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYYKRDVIBOEORL-UHFFFAOYSA-N

ChEBI ID

184805

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)

1 reference

Human Metabolome Database ID

HMDB0040968

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WYYKRDVIBOEORL-UHFFFAOYSA-N

(Q105322816)

2-[2-({19-Amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid

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