isomugineic acid (Q3604542)

Isomugineic acid (English)

21 September 2016

chemical formula

C₁₂H₂₀N₂O₈

1 reference

Isomugineic acid (English)

21 September 2016

canonical SMILES

C1CN(C1C(=O)O)CC(C(C(=O)O)NCCC(C(=O)O)O)O

1 reference

Isomugineic acid (English)

InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)

21 September 2016

Identifiers

InChI

1 reference

Isomugineic acid (English)

21 September 2016

1 reference

Isomugineic acid (English)

reason for deprecated rank

21 September 2016

CAS Registry Number

69199-37-7

applies to other chemical entity

0 references

1 reference

4-(2-Carboxy-1-azetidinyl)-N-(3-carboxy-3-hydroxypropyl)threonine (English)

21 September 2016

2 references

Isomugineic acid (English)

21 September 2016

ChEBI ID

175088

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)

1 reference

1 reference

DSSTOX compound identifier

DTXCID601416036

0 references

Human Metabolome Database ID

HMDB0033555

2 references

based on heuristic

inferred from InChIKey