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CHEBI:209479 - Norlyngbyastatin 2

ChEBI IDCHEBI:209479
ChEBI NameNorlyngbyastatin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H92N6O13
Net Charge0
Average Mass1045.370
Monoisotopic Mass1044.67224
SMILESCC[C@@H]1CCC[C@@H](O)[C@@H](C)C(=O)O[C@H](C)[C@@H](C)CC=C(C)C(=O)CC(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](COC)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)O1
InChIInChI=1S/C55H92N6O13/c1-17-34(7)48-52(68)59(15)46(32(3)4)51(67)56(12)42(31-72-16)50(66)60-28-20-23-40(60)49(65)58(14)47(33(5)6)53(69)61-29-21-24-41(61)55(71)74-39(18-2)22-19-25-43(62)37(10)54(70)73-38(11)35(8)26-27-36(9)44(63)30-45(64)57(48)13/h27,32-35,37-43,46-48,62H,17-26,28-31H2,1-16H3/t34-,35-,37+,38+,39+,40-,41-,42-,43+,46-,47-,48-/m0/s1
InChIKeyRLWWDHNEFWYSBR-RPOYPMTESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (10654420)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Norlyngbyastatin 2 (CHEBI:209479) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12S,15S,18S,26S,27R,30R,31R,35R,38S)-18-[(2S)-butan-2-yl]-35-ethyl-31-hydroxy-12-(methoxymethyl)-4,13,16,19,23,26,27,30-octamethyl-3,15-di(propan-2-yl)-28,36-dioxa-1,4,10,13,16,19-hexazatricyclo[36.3.0.06,10]hentetracont-23-ene-2,5,11,14,17,20,22,29,37-nonone