EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213499 - Aeruginosin NOL5

ChEBI IDCHEBI:213499
ChEBI NameAeruginosin NOL5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56N6O10
Net Charge0
Average Mass720.865
Monoisotopic Mass720.40579
SMILESCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)NC(CO)CCCN=C(N)N)C[C@@H]2CCC(OC3OC(CO)C(O)C3O)C[C@@H]21
InChIInChI=1S/C35H56N6O10/c1-2-3-4-7-29(45)40-25(15-20-8-11-23(44)12-9-20)33(49)41-26-17-24(50-34-31(47)30(46)28(19-43)51-34)13-10-21(26)16-27(41)32(48)39-22(18-42)6-5-14-38-35(36)37/h8-9,11-12,21-22,24-28,30-31,34,42-44,46-47H,2-7,10,13-19H2,1H3,(H,39,48)(H,40,45)(H4,36,37,38)/t21-,22?,24?,25-,26-,27-,28?,30?,31?,34?/m0/s1
InChIKeyNCDCOQKFTYCKNK-STPCJELOSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena AV1 (ncbitaxon:284707) - PubMed (24040002)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aeruginosin NOL5 (CHEBI:213499) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S,3aS,7aS)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide