CHEBI:200095 - A2315A

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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 A2315A
ChEBI ID CHEBI:200095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37N3O7
Net Charge 0
Average Mass 503.596
Monoisotopic Mass 503.26315
InChI InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8+,16-11+/t17-,18-,19-,20+,24-/m1/s1
InChIKey SAQNYTQFLPVTNJ-WWUMGCNISA-N
SMILES O=C1N[C@@H](C(=O)O[C@@H]([C@@H](C=CC(=O)NCC=CC(=C[C@H](C[C@@H](CC2=NC1=CO2)O)O)C)C)C(C)C)C
Metabolite of Species Details
Actinoplanes philippinensis (NCBI:txid35752) See: PubMed
ChEBI Ontology
Outgoing A2315A (CHEBI:200095) is a lactam (CHEBI:24995)
A2315A (CHEBI:200095) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,7R,8R,9E,14E,16E,18S,20S)-18,20-dihydroxy-4,8,16-trimethyl-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione
Manual Xref Database
10222382 ChemSpider
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