(Q27158613)

CHEBI:85512 (English)

9 October 2016

chemical formula

C₁₆H₂₃N₄O₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1CC2(C(=O)NC(=O)N=C2NCC(C(C(CO)O)O)O)[NH3+])O

1 reference

CHEBI:85512 (English)

9 October 2016

isomeric SMILES

C1=CC(=CC=C1CC2(C(=O)NC(=O)N=C2NC[C@@H]([C@@H]([C@@H](CO)O)O)O)[NH3+])O

1 reference

CHEBI:85512 (English)

InChI=1S/C16H22N4O7/c17-16(5-8-1-3-9(22)4-2-8)13(19-15(27)20-14(16)26)18-6-10(23)12(25)11(24)7-21/h1-4,10-12,21-25H,5-7,17H2,(H2,18,19,20,26,27)/p+1/t10-,11+,12-,16?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:85512 (English)

XETIGMNRSOUDLK-USDBNLMRSA-O

9 October 2016

InChIKey

2 references

CHEBI:85512 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-{(E)-[5-Ammonio-5-(4-hydroxybenzyl)-2,6-dioxotetrahydro-4(1H)-pyrimidinylidene]amino}-1-deoxy-D-ribitol (English)

9 October 2016

1 reference

CHEBI:85512 (English)

matched by identifier from

9 October 2016

136662822

1 reference

InChIKey

XETIGMNRSOUDLK-USDBNLMRSA-O

ChEBI ID

85512

mapping relation type

2 references

5-amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione(1+) (English)