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CHEBI:212865 - Nostopeptolide L4

ChEBI IDCHEBI:212865
ChEBI NameNostopeptolide L4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H75N9O13
Net Charge0
Average Mass1034.222
Monoisotopic Mass1033.54843
SMILESC/C=C1/NC(=O)[C@@H]2CCCN2C(=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/C52H75N9O13/c1-9-12-18-30(5)44(64)59-42-32(7)74-52(72)39-22-17-26-61(39)51(71)35(23-24-40(53)62)55-48(68)41(29(4)10-2)58-45(65)34(11-3)54-47(67)38-21-16-25-60(38)50(70)31(6)43(63)36(27-33-19-14-13-15-20-33)56-46(66)37(28-73-8)57-49(42)69/h11,13-15,18-20,29,31-32,35-39,41-42H,9-10,12,16-17,21-28H2,1-8H3,(H2,53,62)(H,54,67)(H,55,68)(H,56,66)(H,57,69)(H,58,65)(H,59,64)/b30-18-,34-11+/t29-,31?,32-,35-,36?,37-,38-,39-,41-,42+/m0/s1
InChIKeyNNSKEWLXNDVFJI-YYNINNBHSA-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 L4 (CHEBI:212865) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-N-[(3S,6S,9E,12S,23S,26R,27S,30S)-3-(3-amino-3-oxopropyl)-20-benzyl-6-[(2S)-butan-2-yl]-9-ethylidene-23-(methoxymethyl)-18,27-dimethyl-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