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CHEBI:226234 - Saccharomicin A

ChEBI IDCHEBI:226234
ChEBI NameSaccharomicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC121H207N9O59S2
Net Charge0
Average Mass2796.125
Monoisotopic Mass2794.29155
SMILESCC1OC(OC2C(C)OC(OC3C(C)OC(OC4C(O)C(OC5C(C)OC(OC6C(C)OC(OC7C(O)C(C)OC(OC8C(C)OC(OC9C(C)OC(OC%10C(C)OC(OC%11C(C)OC(Oc%12ccc(/C=C/C(=O)NCCS(=O)(=O)O)cc%12O)C(OS(=O)(=O)O)C%11O)CC%10(C)N)C(O)C9O)CC8(C)N)C7O)C(O)C6O)CC5(C)N)OC(C)C4OC4CC(C)(N)C(O)C(C)O4)C(O)C3O)CC2(C)N)C(O)C(OC2CC(O)C(OC3CC(C)(N)C(OC4CC(O)C(OC5CC(C)(N)C(OC6CC(C)(N)C(O)C(C)O6)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C1O
WURCSWURCS=2.0/4,17,16/[axxxxm-1x_1-5_1*O(CCCCCC$3/6)C=^ECCNCCSO/15=O/15=O/11=O(/4)O_2*OSO/3=O/3=O][adXxxm-1x_1-5_3*C_3*N][axxxxm-1x_1-5][adxxxm-1x_1-5]/1-2-3-2-3-3-2-3-3-2-3-4-2-4-2-2-2/a4-b1_b4-c1_c4-d1_d4-e1_e3-f1_f4-g1_g4-h1_h3-i1_h4-q1_i4-j1_j4-k1_k3-l1_l4-m1_m4-n1_n4-o1_o4-p1
InChIInChI=1S/C121H207N9O59S2/c1-43-76(135)95(173-66-33-62(132)88(45(3)155-66)174-69-37-116(20,124)101(54(12)159-69)181-67-34-63(133)89(46(4)156-67)175-70-38-117(21,125)102(55(13)160-70)182-75-36-115(19,123)100(148)53(11)158-75)85(144)110(165-43)186-104-57(15)161-71(39-119(104,23)127)177-91-48(6)168-108(82(141)79(91)138)184-97-87(146)112(170-51(9)94(97)180-68-35-114(18,122)99(147)52(10)157-68)188-106-59(17)163-72(41-121(106,25)129)176-90-47(5)167-107(81(140)78(90)137)183-96-77(136)44(2)166-111(86(96)145)187-105-58(16)162-73(40-120(105,24)128)178-92-49(7)169-109(83(142)80(92)139)185-103-56(14)164-74(42-118(103,22)126)179-93-50(8)171-113(98(84(93)143)189-191(152,153)154)172-64-28-26-60(32-61(64)131)27-29-65(134)130-30-31-190(149,150)151/h26-29,32,43-59,62-63,66-113,131-133,135-148H,30-31,33-42,122-129H2,1-25H3,(H,130,134)(H,149,150,151)(H,152,153,154)/b29-27+
InChIKeyYMOIRJJLVQUIJN-ORIPQNMZSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix espanaensis (ncbitaxon:103731) - DOI (10.1021/ja981641l)
ChEBI Ontology
Outgoing Relation(s)
Saccharomicin A (CHEBI:226234) is a polysaccharide (CHEBI:18154)
IUPAC Name 
2-[[(E)-3-[4-[5-[4-amino-5-[5-[4-amino-5-[4-[5-[4-amino-5-[4-[5-[4-amino-5-[4-[5-[4-amino-5-[5-[4-amino-5-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyl-3-sulooxyoxan-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]amino]ethanesulonic acid
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