CHEBI:199713 - Grabetaypeptolide F

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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 Grabetaypeptolide F
ChEBI ID CHEBI:199713
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H79N9O9S2
Net Charge 0
Average Mass 1134.470
Monoisotopic Mass 1133.54422
InChI InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44?,45+,46-,47-,48+,49+,50+/m1/s1
InChIKey OMAHHNNQYKBGML-XCCIRJLLSA-N
SMILES S1C2=N[C@@H](C1)C(=O)N[C@@H](C=3SCC(N3)C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](C(O[C@H](C(N([C@H](C(N4[C@H](C(N([C@@H]2CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CC6=CC=CC=C6)=O)C)C)C(C)C)CC7=CC=CC=C7)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 Grabetaypeptolide F (CHEBI:199713) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R,5R,9R,12S,18S,21S,24R,25R,28S,31R)-9,21,31-tribenzyl-2-ethyl-10,19,24,25,32-pentamethyl-18,28-di(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonazatetracyclo[32.2.1.15,8.012,16]octatriaconta-1(37),8(38)-diene-4,11,17,20,23,27,30,33-octone
Manual Xref Database
78440056 ChemSpider
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