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CHEBI:217349 - Lobophorin H5

ChEBI IDCHEBI:217349
ChEBI NameLobophorin H5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H76N4O13
Net Charge0
Average Mass953.184
Monoisotopic Mass952.54089
SMILESCOC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H]3C=C[C@H]4C(C)=CC[C@H](O[C@H]5C[C@](C)(N)[C@@H](NC(=O)OC)[C@@H](C)O5)C(C)=C[C@@H]5C=C(CO)[C@H](C)C[C@]56OC(=O)C(=C(O)[C@@]4(C)[C@@H]3[C@@H](C)C[C@@H]2C)C6=O)C[C@]1(C)N
InChIInChI=1S/C51H76N4O13/c1-24-13-16-35(66-36-21-48(8,52)41(29(6)64-36)54-46(60)62-11)25(2)18-32-19-31(23-56)28(5)20-51(32)44(58)38(45(59)68-51)43(57)50(10)34(24)15-14-33-39(50)26(3)17-27(4)40(33)67-37-22-49(9,53)42(30(7)65-37)55-47(61)63-12/h13-15,18-19,26-30,32-37,39-42,56-57H,16-17,20-23,52-53H2,1-12H3,(H,54,60)(H,55,61)/t26-,27-,28+,29+,30-,32+,33-,34-,35-,36-,37-,39+,40-,41-,42-,48-,49-,50+,51-/m0/s1
InChIKeyHNPRZWWUEORUDK-RATDFALYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31971807)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin H5 (CHEBI:217349) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2S,3R,4S,6R)-4-amino-6-[[(1S,3R,6S,9S,13S,16S,17S,18S,20S,21R,22S)-9-[(2R,4S,5R,6R)-4-amino-5-(methoxycarbonylamino)-4,6-dimethyloxan-2-yl]oxy-23-hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-17-yl]oxy]-2,4-dimethyloxan-3-yl]carbamate