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CHEBI:213169 - Companeramide A

ChEBI IDCHEBI:213169
ChEBI NameCompaneramide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H97N9O11
Net Charge0
Average Mass1084.455
Monoisotopic Mass1083.73075
SMILESC#CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@H](C)CC)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
InChIInChI=1S/C57H97N9O11/c1-21-24-25-27-40-37(14)57(76)77-47(34(10)11)56(75)62(17)39(16)48(67)60-43(35(12)22-2)54(73)65(20)46(33(8)9)51(70)61-44(36(13)23-3)55(74)66-29-26-28-41(66)53(72)63(18)42(30-31(4)5)49(68)58-38(15)52(71)64(19)45(32(6)7)50(69)59-40/h1,31-47H,22-30H2,2-20H3,(H,58,68)(H,59,69)(H,60,67)(H,61,70)/t35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1
InChIKeyHAFPBIZSTAZDFL-RTUBNDGLSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies (ncbitaxon:47254) - PubMed (25562664)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Companeramide A (CHEBI:213169) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12R,15S,18S,19R,22S,25S,28S,31S)-3,9-bis[(2R)-butan-2-yl]-7,12,13,18,23,25,29-heptamethyl-28-(2-methylpropyl)-19-pent-4-ynyl-6,15,22-tri(propan-2-yl)-16-oxa-1,4,7,10,13,20,23,26,29-nonazabicyclo[29.3.0]tetratriacontane-2,5,8,11,14,17,21,24,27,30-decone
Manual XrefsDatabases
35516837ChemSpider