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CHEBI:167622 - 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide

ChEBI IDCHEBI:167622
ChEBI Name4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
Stars
ASCII Name4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
Last Modified22 April 2022
SubmitterAdnan
DownloadsMolfile
FormulaC13H28N6O8
Net Charge0
Average Mass396.401
Monoisotopic Mass396.19686
SMILESNC(=O)NCC(NC(=O)C(O)C(O)C(N)C(O)CC(O)C(N)CO)C(N)=O
InChIInChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)
InChIKeyFYIPKJHNWFVEIR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a pentol (CHEBI:37205)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a polyketide (CHEBI:26188)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a primary alcohol (CHEBI:15734)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a primary amino compound (CHEBI:50994)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a primary carboxamide (CHEBI:140324)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a secondary alcohol (CHEBI:35681)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a secondary carboxamide (CHEBI:140325)
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622) is a ureas (CHEBI:47857)
Incoming Relation(s)
(+)-zwittermicin A (CHEBI:80056) is a 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622)
(−)-zwittermicin A (CHEBI:167210) is a 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide (CHEBI:167622)
IUPAC Name 
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
Synonyms  Source
4,8-diamino-N-[1-carbamoyl-2-(carbamoylamino)ethyl]-2,3,5,7,9-pentahydroxynonanamideIUPAC
N-(1-carbamoyl-2-ureidoethyl)-2,3,5,7,9-pentahydroxy-4,8-diaminononanamideChEBI
zwittermicin A (unspecified stereochemistry)ChEBI