CHEBI:213487 - Aeruginosin NOL6

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aeruginosin NOL6
ChEBI ID CHEBI:213487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H60N6O10
Net Charge 0
Average Mass 748.919
Monoisotopic Mass 748.43709
InChI InChI=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
InChIKey CPAIOLGWYVYZPF-FAQOGLRESA-N
SMILES O=C(NC(CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC)CC2=CC=C(O)C=C2)[C@H]3CC(OC4OC(CO)C(C4O)O)CC[C@H]3C1
Metabolite of Species Details
Nodulariaspeciesmigena AV1 (NCBI:txid284707) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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