CHEBI:202114 - FR235222

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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 FR235222
ChEBI ID CHEBI:202114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H44N4O6
Net Charge 0
Average Mass 556.704
Monoisotopic Mass 556.32609
InChI InChI=1S/C30H44N4O6/c1-5-30(4)29(40)32-23(17-21-12-8-6-9-13-21)28(39)34-18-19(2)16-24(34)27(38)31-22(26(37)33-30)14-10-7-11-15-25(36)20(3)35/h6,8-9,12-13,19-20,22-24,35H,5,7,10-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,20+,22-,23-,24+,30+/m0/s1
InChIKey NJEYLEUCEPGDMG-QSCRDCPQSA-N
SMILES O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(N[C@@]1(CC)C)=O)CCCCCC(=O)[C@H](O)C)C[C@@H](C2)C)CC3=CC=CC=C3
Metabolite of Species Details
Acremoniumspecies (NCBI:txid2046025) 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 FR235222 (CHEBI:202114) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S,6R,9S,12R,14S)-3-benzyl-6-ethyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,14-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual Xref Database
9906093 ChemSpider
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