CHEBI:217556 - Serinocyclin A

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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 Serinocyclin A
ChEBI ID CHEBI:217556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44N8O12
Net Charge 0
Average Mass 672.693
Monoisotopic Mass 672.30787
InChI InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/t13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKey RBBMDAKGTMLVAP-LPJTWDLVSA-N
SMILES O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCC(N[C@@H](C(N[C@H](C(NC13CC3)=O)CO)=O)CO)=O)C[C@@H](O)CCN)CO)C[C@H](C2)O
Metabolite of Species Details
Metarhizium anisopliae (NCBI:txid5530) 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 Serinocyclin A (CHEBI:217556) is a peptide (CHEBI:16670)
IUPAC Name
(6S,9R,16R,19S,22S,24R)-16-[(2S)-4-amino-2-hydroxybutyl]-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
Manual Xref Database
23311321 ChemSpider
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