(Q27127002)

CHEBI:59977 (English)

6 October 2016

chemical formula

C₁₃H₂₁NO₄

1 reference

CHEBI:59977 (English)

6 October 2016

canonical SMILES

CC(C)(C)CN1C=CC(=C1C=O)C(C(CO)O)O

1 reference

CHEBI:59977 (English)

InChI=1S/C13H21NO4/c1-13(2,3)8-14-5-4-9(10(14)6-15)12(18)11(17)7-16/h4-6,11-12,16-18H,7-8H2,1-3H3

6 October 2016

Identifiers

InChI

1 reference

CHEBI:59977 (English)

SCHOZSZMRGHVKQ-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

CHEBI:59977 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-(2,2-Dimethylpropyl)-3-(1,2,3-trihydroxypropyl)-1H-pyrrole-2-carbaldehyde (English)

6 October 2016

2 references

CHEBI:59977 (English)

matched by identifier from

6 October 2016

InChIKey

SCHOZSZMRGHVKQ-UHFFFAOYSA-N

ChEBI ID

59977

mapping relation type

2 references

neopentyl glycosyl pyrrole (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H21NO4/c1-13(2,3)8-14-5-4-9(10(14)6-15)12(18)11(17)7-16/h4-6,11-12,16-18H,7-8H2,1-3H3

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

136030