EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43376 - 3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL)-5-(1-FORMYL-2-HYDROXY-PROPYL)-4,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:43376
ChEBI Name3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL)-5-(1-FORMYL-2-HYDROXY-PROPYL)-4,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC12H19N3O4S
Net Charge0
Average Mass301.368
Monoisotopic Mass301.10963
SMILES[H]/N=C(\[H])N([H])C([H])([H])C([H])([H])SC1=C(C(=O)O[H])N([H])[C@@]([H])([C@]([H])(C([H])=O)[C@]([H])(O[H])C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1
InChIKeyUACUABDJLSUFFC-IWSPIJDZSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL)-5-(1-FORMYL-2-HYDROXY-PROPYL)-4,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID (CHEBI:43376) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL)-5-(1-FORMYL-2-HYDROXY-PROPYL)-4,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACIDPDBeChem
(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acidPDBeChem
Manual XrefsDatabases
IM2PDBeChem