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CHEBI:219833 - Stambomycin C

ChEBI IDCHEBI:219833
ChEBI NameStambomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H131NO22
Net Charge0
Average Mass1362.825
Monoisotopic Mass1361.91627
SMILESC/C1=C/C(CCCC(C)C)C(O)C(O)CCC(O)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O
InChIInChI=1S/C72H131NO22/c1-40(2)19-16-21-50-33-43(5)62(85)36-52(75)23-18-26-57(80)45(7)56(79)24-15-14-20-42(4)67(87)47(9)63-38-64(94-71-70(90)66(73(12)13)68(88)49(11)93-71)48(10)72(91,95-63)39-65(86)92-44(6)28-29-53(76)34-51(74)22-17-25-58(81)46(8)59(82)31-27-41(3)61(84)37-55(78)35-54(77)30-32-60(83)69(50)89/h14-15,20,28-29,33,40-41,44-64,66-71,74-85,87-91H,16-19,21-27,30-32,34-39H2,1-13H3/b15-14-,29-28-,42-20-,43-33-/t41?,44?,45?,46?,47?,48?,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,66+,67?,68-,69?,70-,71+,72?/m1/s1
InChIKeyHNOXBWUDARWQCR-VFVCWLINSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21444795)
ChEBI Ontology
Outgoing Relation(s)
Stambomycin C (CHEBI:219833) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(6Z,30Z,42Z,44Z)-50-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylpentyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
Manual XrefsDatabases
78445706ChemSpider