CHEBI:207680 - Cotteslosin 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 Cotteslosin B
ChEBI ID CHEBI:207680
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H47N5O7
Net Charge 0
Average Mass 649.789
Monoisotopic Mass 649.34755
InChI InChI=1S/C35H47N5O7/c1-6-21(4)30-35(47)39(5)28(19-23-11-15-25(42)16-12-23)32(44)36-26(18-22-9-13-24(41)14-10-22)34(46)40-17-7-8-27(40)31(43)37-29(20(2)3)33(45)38-30/h9-16,20-21,26-30,41-42H,6-8,17-19H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)/t21-,26-,27-,28-,29-,30-/m0/s1
InChIKey BACHLISBEFYBLZ-RSGBUPOYSA-N
SMILES O=C1N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
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 Cotteslosin B (CHEBI:207680) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S,6S,9S,12S,15S)-9-[(2S)-butan-2-yl]-3,6-bis[(4-hydroxyphenyl)methyl]-7-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Manual Xref Database
24621543 ChemSpider
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