CHEBI:226352 - Wbeta2217

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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 Wbeta2217
ChEBI ID CHEBI:226352
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38N4O5
Net Charge 0
Average Mass 474.602
Monoisotopic Mass 474.28422
InChI InChI=1S/C25H38N4O5/c1-13(2)19-23(32)28-20(14(3)4)24(33)29-21(15(5)16(6)30)25(34)26-18(22(31)27-19)12-17-10-8-7-9-11-17/h7-11,13-16,18-21,30H,12H2,1-6H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t15-,16-,18+,19+,20+,21+/m1/s1
InChIKey CXMBFUMTPNXCMT-HDHGSYJOSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@@H]([C@H](O)C)C)=O)C(C)C)C(C)C)CC2=CC=CC=C2
Metabolite of Species Details
Nonomuraea (NCBI:txid83681) 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 )
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ChEBI Ontology
Outgoing Wbeta2217 (CHEBI:226352) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S,6S,9S,12S)-3-benzyl-6-[(2S,3R)-3-hydroxybutan-2-yl]-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Manual Xref Database
24695825 ChemSpider
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