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CHEBI:213487 - Aeruginosin NOL6

ChEBI IDCHEBI:213487
ChEBI NameAeruginosin NOL6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60N6O10
Net Charge0
Average Mass748.919
Monoisotopic Mass748.43709
SMILESCCCCCCCC(=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/C37H60N6O10/c1-2-3-4-5-6-9-31(47)42-27(17-22-10-13-25(46)14-11-22)35(51)43-28-19-26(52-36-33(49)32(48)30(21-45)53-36)15-12-23(28)18-29(43)34(50)41-24(20-44)8-7-16-40-37(38)39/h10-11,13-14,23-24,26-30,32-33,36,44-46,48-49H,2-9,12,15-21H2,1H3,(H,41,50)(H,42,47)(H4,38,39,40)/t23-,24?,26?,27-,28-,29-,30?,32?,33?,36?/m0/s1
InChIKeyCPAIOLGWYVYZPF-FAQOGLRESA-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 NOL6 (CHEBI:213487) 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)-3-(4-hydroxyphenyl)-2-(octanoylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide