EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212853 - Nostopeptolide L2

ChEBI IDCHEBI:212853
ChEBI NameNostopeptolide L2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H77N9O13
Net Charge0
Average Mass1048.249
Monoisotopic Mass1047.56408
SMILESC/C=C1/NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(C)C(=O)C(Cc2ccccc2)NC(=O)[C@H](COC)NC(=O)[C@H](NC(=O)/C(C)=C\CCC)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC1=O
InChIInChI=1S/C53H77N9O13/c1-10-13-18-31(6)45(65)60-43-33(8)75-53(73)39-21-17-24-61(39)52(72)36(22-23-41(54)63)56-49(69)42(30(5)11-2)59-46(66)35(12-3)55-48(68)40-25-29(4)27-62(40)51(71)32(7)44(64)37(26-34-19-15-14-16-20-34)57-47(67)38(28-74-9)58-50(43)70/h12,14-16,18-20,29-30,32-33,36-40,42-43H,10-11,13,17,21-28H2,1-9H3,(H2,54,63)(H,55,68)(H,56,69)(H,57,67)(H,58,70)(H,59,66)(H,60,65)/b31-18-,35-12+/t29-,30-,32?,33-,36-,37?,38-,39-,40-,42-,43+/m0/s1
InChIKeySDUXPNUDPUMSEL-WOYAIKJDSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (25203327)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostopeptolide L2 (CHEBI:212853) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-N-[(3S,6S,9E,12S,14S,23S,26R,27S,30S)-3-(3-amino-3-oxopropyl)-20-benzyl-6-[(2S)-butan-2-yl]-9-ethylidene-23-(methoxymethyl)-14,18,27-trimethyl-2,5,8,11,17,19,22,25,29-nonaoxo-28-oxa-1,4,7,10,16,21,24-heptazatricyclo[28.3.0.012,16]tritriacontan-26-yl]-2-methylhex-2-enamide