CHEBI:220874 - 57-Normajusculamide C

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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 57-Normajusculamide C
ChEBI ID CHEBI:220874
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C49H78N8O12
Net Charge 0
Average Mass 971.207
Monoisotopic Mass 970.57392
InChI InChI=1S/C49H78N8O12/c1-17-28(7)39-44(63)50-24-36(58)56(14)38(26(3)4)46(65)55(13)35(23-32-19-21-33(68-16)22-20-32)43(62)52-30(9)41(60)49(11,12)48(67)53-31(10)42(61)54-34(18-2)29(8)47(66)69-40(27(5)6)45(64)51-25-37(59)57(39)15/h19-22,26-31,34-35,38-40H,17-18,23-25H2,1-16H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)/t28?,29-,30-,31-,34+,35-,38-,39-,40-/m0/s1
InChIKey NDFBQYCGCBEBOD-ZDKALMRWSA-N
SMILES O=C1N[C@H](C(=O)N[C@@H]([C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@@H](C(CC)C)C(NCC(N([C@H](C(N([C@H](C(N[C@H](C(C1(C)C)=O)C)=O)CC2=CC=C(OC)C=C2)C)=O)C(C)C)C)=O)=O)C)C(C)C)C)CC)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: DOI
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 57-Normajusculamide C (CHEBI:220874) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S,8S,14S,17S,20S,25S,28R,29S)-8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Manual Xref Database
78440287 ChemSpider
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