EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225151 - Tetrocarcin B

ChEBI IDCHEBI:225151
ChEBI NameTetrocarcin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H86N2O22
Net Charge0
Average Mass1199.351
Monoisotopic Mass1198.56722
SMILESCOC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4C(O[C@H]5C[C@@H](OC6COC(C)C(OC7CC(O)C(O)C(C)O7)C6)[C@@H](OC(C)=O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)OC4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C61H86N2O22/c1-27-13-16-43(82-48-24-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)18-40-41(66)19-36(25-64)23-61(40)56(70)49(57(71)85-61)55(69)60(11)39(27)15-14-38-50(60)29(3)17-30(4)52(38)84-47-22-45(53(33(7)78-47)80-35(9)65)81-37-20-44(31(5)76-26-37)83-46-21-42(67)51(68)32(6)77-46/h13-15,18-19,25,29-34,37-48,50-54,66-69H,16-17,20-24,26H2,1-12H3,(H,62,72)/b27-13-,28-18?,55-49?/t29-,30-,31?,32?,33-,34+,37?,38-,39-,40+,41-,42?,43-,44?,45+,46?,47-,48-,50+,51?,52?,53-,54-,59-,60+,61?/m0/s1
InChIKeyVTKZSPDLXGUJCG-COUSUYLLSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (6893447)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin B (CHEBI:225151) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2S,3S,4R,6R)-4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-3-yl]oxy-6-[[(5S,6R,9S,11Z,13S,16S,18S,20S,21R,22S)-3-ormyl-5,23-dihydroxy-9-[(2R,4S,5R,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-2-methyloxan-3-yl] acetate