CHEBI:197697 - Guineamide 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 Guineamide A
ChEBI ID CHEBI:197697
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H43N5O6S
Net Charge 0
Average Mass 613.770
Monoisotopic Mass 613.29341
InChI InChI=1S/C31H43N5O6S/c1-9-22-18(4)31(41)42-20(6)29(39)36(8)25(17(2)3)30(40)35(7)24(15-21-13-11-10-12-14-21)27(38)32-19(5)28-34-23(16-43-28)26(37)33-22/h10-14,16-20,22,24-25H,9,15H2,1-8H3,(H,32,38)(H,33,37)/t18-,19-,20-,22+,24-,25-/m0/s1
InChIKey GPTJWGYTFCSLIR-CMDJPLBESA-N
SMILES S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)CC3=CC=CC=C3)C)=O)C(C)C)C)=O)C)CC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Guineamide A (CHEBI:197697) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,5S,8S,11S,14S,15R)-5-benzyl-15-ethyl-2,6,9,11,14-pentamethyl-8-propan-2-yl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Manual Xref Database
9040310 ChemSpider
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