CHEBI:216195 - Medusamide 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 Medusamide A
ChEBI ID CHEBI:216195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H79N5O9
Net Charge 0
Average Mass 822.142
Monoisotopic Mass 821.58778
InChI InChI=1S/C44H79N5O9/c1-15-19-31-28(12)39(51)47-33(21-17-3)30(14)41(53)49-36(25(7)8)43(55)58-37(26(9)10)44(56)57-35(23-24(5)6)42(54)48-34(22-18-4)29(13)40(52)46-32(20-16-2)27(11)38(50)45-31/h24-37H,15-23H2,1-14H3,(H,45,50)(H,46,52)(H,47,51)(H,48,54)(H,49,53)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1
InChIKey ZGUPGLAEKHCUSL-WLHCDTGTSA-N
SMILES O=C1O[C@@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H]([C@H](C(=O)N[C@@H]([C@H](C(N[C@@H]([C@H](C(N[C@@H](C(O[C@H]1C(C)C)=O)C(C)C)=O)C)CCC)=O)C)CCC)C)CCC)C)CCC)CC(C)C
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) 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 )
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ChEBI Ontology
Outgoing Medusamide A (CHEBI:216195) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9R,10R,13R,14R,17R,18R,21R,22R,25R)-9,13,17,21-tetramethyl-25-(2-methylpropyl)-3,6-di(propan-2-yl)-10,14,18,22-tetrapropyl-1,4-dioxa-7,11,15,19,23-pentazacyclopentacosane-2,5,8,12,16,20,24-heptone
Manual Xref Database
58196519 ChemSpider
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