CHEBI:216480 - Oscillaginin B

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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 Oscillaginin B
ChEBI ID CHEBI:216480
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H48N4O8
Net Charge 0
Average Mass 580.723
Monoisotopic Mass 580.34721
InChI InChI=1S/C29H48N4O8/c1-5-6-7-8-9-10-21(30)25(36)27(38)32-23(17-34)28(39)33(4)24(18(2)3)26(37)31-22(29(40)41)16-13-19-11-14-20(35)15-12-19/h11-12,14-15,18,21-25,34-36H,5-10,13,16-17,30H2,1-4H3,(H,31,37)(H,32,38)(H,40,41)/t21-,22+,23+,24+,25+/m1/s1
InChIKey FAFNVISAZDFOJC-RYWAYVEBSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)CCCCCCC)CO)C)C(C)C)CCC1=CC=C(O)C=C1
Metabolite of Species Details
Planktothrix agardhii (NCBI:txid1160) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Oscillaginin B (CHEBI:216480) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
Manual Xref Database
34516449 ChemSpider
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