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CHEBI:223822 - Saccharomicin B

ChEBI IDCHEBI:223822
ChEBI NameSaccharomicin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC121H207N9O58S2
Net Charge0
Average Mass2780.126
Monoisotopic Mass2778.29664
SMILESCC1OC(OC2C(C)OC(OC3C(O)CC(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)OC3C)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]/1-2-3-2-3-3-2-3-4-2-3-4-2-4-2-2-2/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/C121H207N9O58S2/c1-44-79(136)96(172-68-33-63(132)89(46(3)154-68)174-72-38-116(20,124)102(55(12)159-72)181-70-35-65(134)91(48(5)156-70)175-73-39-117(21,125)103(56(13)160-73)182-78-37-115(19,123)101(147)54(11)158-78)86(143)110(165-44)185-105-58(15)161-74(40-118(105,22)126)176-90-47(4)155-69(34-64(90)133)173-98-88(145)112(169-52(9)95(98)180-71-36-114(18,122)100(146)53(10)157-71)187-107-60(17)163-75(42-121(107,25)129)177-92-49(6)167-108(83(140)81(92)138)183-97-80(137)45(2)166-111(87(97)144)186-106-59(16)162-76(41-120(106,24)128)178-93-50(7)168-109(84(141)82(93)139)184-104-57(14)164-77(43-119(104,23)127)179-94-51(8)170-113(99(85(94)142)188-190(151,152)153)171-66-28-26-61(32-62(66)131)27-29-67(135)130-30-31-189(148,149)150/h26-29,32,44-60,63-65,68-113,131-134,136-147H,30-31,33-43,122-129H2,1-25H3,(H,130,135)(H,148,149,150)(H,151,152,153)/b29-27+
InChIKeyVNCROLINKPTVCO-ORIPQNMZSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix espanaensis (ncbitaxon:103731) - DOI (10.1021/ja981641l)
ChEBI Ontology
Outgoing Relation(s)
Saccharomicin B (CHEBI:223822) 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-4-hydroxy-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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