CHEBI:212853 - Nostopeptolide L2

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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 Nostopeptolide L2
ChEBI ID CHEBI:212853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H77N9O13
Net Charge 0
Average Mass 1048.249
Monoisotopic Mass 1047.56408
InChI InChI=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
InChIKey SDUXPNUDPUMSEL-WOYAIKJDSA-N
SMILES O=C/1N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H]([C@@H](NC(=O)/C(=C\CCC)/C)C(=O)N[C@H](C(NC(C(C(C(N3[C@H](C(N\C1=C\C)=O)C[C@H](C)C3)=O)C)=O)CC4=CC=CC=C4)=O)COC)C)CCC2)CCC(=O)N)[C@H](CC)C
Metabolite of Species Details
Nostoc (NCBI:txid1177) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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