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CHEBI:213480 - Aeruginosin NOL7

ChEBI IDCHEBI:213480
ChEBI NameAeruginosin NOL7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64N6O10
Net Charge0
Average Mass776.973
Monoisotopic Mass776.46839
SMILESCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C(C(=O)NC(CO)CCCN=C(N)N)C[C@@H]2CCC(OC3OC(CO)C(O)C3O)C[C@@H]21
InChIInChI=1S/C39H64N6O10/c1-2-3-4-5-6-7-8-11-33(49)44-29(19-24-12-15-27(48)16-13-24)37(53)45-30-21-28(54-38-35(51)34(50)32(23-47)55-38)17-14-25(30)20-31(45)36(52)43-26(22-46)10-9-18-42-39(40)41/h12-13,15-16,25-26,28-32,34-35,38,46-48,50-51H,2-11,14,17-23H2,1H3,(H,43,52)(H,44,49)(H4,40,41,42)/t25-,26?,28?,29-,30-,31?,32?,34?,35?,38?/m0/s1
InChIKeyNABUGTAZUYSAPR-MIZMQUSVSA-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 NOL7 (CHEBI:213480) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(3aS,7aS)-1-[(2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoyl]-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide