CHEBI:199565 - Georgamide

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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 Georgamide
ChEBI ID CHEBI:199565
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H69N5O10
Net Charge 0
Average Mass 852.083
Monoisotopic Mass 851.50444
InChI InChI=1S/C46H69N5O10/c1-13-15-17-24-34-46(9,10)45(59)48-36(30(8)52)41(55)49(11)33(26-31-21-18-16-19-22-31)40(54)51-25-20-23-32(51)43(57)61-38(29(7)14-2)42(56)50(12)37(28(5)6)39(53)47-35(27(3)4)44(58)60-34/h1,16,18-19,21-22,27-30,32-38,52H,14-15,17,20,23-26H2,2-12H3,(H,47,53)(H,48,59)/t29-,30-,32+,33+,34?,35+,36+,37+,38+/m1/s1
InChIKey PQGOCRXEFILOCI-GHHDHJOVSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)O[C@@H]([C@@H](CC)C)C(N([C@H](C(N[C@H](C(OC(C1(C)C)CCCC#C)=O)C(C)C)=O)C(C)C)C)=O)CCC2)CC3=CC=CC=C3)C)[C@H](O)C
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 Georgamide (CHEBI:199565) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,13S,16S,19S,22S)-3-benzyl-19-[(2R)-butan-2-yl]-6-[(1R)-1-hydroxyethyl]-4,9,9,17-tetramethyl-10-pent-4-ynyl-13,16-di(propan-2-yl)-11,20-dioxa-1,4,7,14,17-pentazabicyclo[20.3.0]pentacosane-2,5,8,12,15,18,21-heptone
Manual Xref Database
8852368 ChemSpider
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