CHEBI:200640 - Cycloaspeptide G

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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 Cycloaspeptide G
ChEBI ID CHEBI:200640
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H43N5O7
Net Charge 0
Average Mass 657.768
Monoisotopic Mass 657.31625
InChI InChI=1S/C36H43N5O7/c1-21(2)18-29-36(48)41(5)31(20-24-12-16-26(43)17-13-24)33(45)38-28-9-7-6-8-27(28)32(44)37-22(3)35(47)40(4)30(34(46)39-29)19-23-10-14-25(42)15-11-23/h6-17,21-22,29-31,42-43H,18-20H2,1-5H3,(H,37,44)(H,38,45)(H,39,46)/t22-,29-,30-,31-/m0/s1
InChIKey CXJXJVPRDGROSV-RHFBVIABSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N[C@@H](CC(C)C)C(N([C@H](C(NC2=C1C=CC=C2)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=C(O)C=C4)C)C
Metabolite of Species Details
Cordyceps farinosa (NCBI:txid89141) See: PubMed
ChEBI Ontology
Outgoing Cycloaspeptide G (CHEBI:200640) is a azamacrocycle (CHEBI:52898)
Cycloaspeptide G (CHEBI:200640) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name
(4S,7S,10S,13S)-4,10-bis[(4-hydroxyphenyl)methyl]-5,11,13-trimethyl-7-(2-methylpropyl)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
Manual Xref Database
24613446 ChemSpider
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