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CHEBI:758100 - sulfomyxin free acid

Default Structure
ChEBI IDCHEBI:758100
ChEBI Namesulfomyxin free acid
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC61H108N16O28S5.C60H106N16O28S5.C60H106N16O28S5
Net Charge0
Average Mass4993.808
Monoisotopic Mass4989.80546
SMILES[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)[C@H](C)O)CCNC1=O.[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)CCCCCCC)[C@H](C)O)CCNC1=O.[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)CCCC[C@@H](C)CC)[C@H](C)O)CCNC1=O
InChIInChI=1S/C61H108N16O28S5.2C60H106N16O28S5/c1-7-37(4)13-11-12-16-49(80)68-41(17-23-62-31-106(91,92)93)56(85)77-51(39(6)79)61(90)73-44(20-26-65-34-109(100,101)102)53(82)71-46-22-28-67-60(89)50(38(5)78)76-57(86)45(21-27-66-35-110(103,104)105)70-52(81)42(18-24-63-32-107(94,95)96)72-58(87)47(29-36(2)3)74-59(88)48(30-40-14-9-8-10-15-40)75-55(84)43(69-54(46)83)19-25-64-33-108(97,98)99;1-35(2)12-10-11-15-48(79)67-40(16-22-61-30-105(90,91)92)55(84)76-50(38(6)78)60(89)72-43(19-25-64-33-108(99,100)101)52(81)70-45-21-27-66-59(88)49(37(5)77)75-56(85)44(20-26-65-34-109(102,103)104)69-51(80)41(17-23-62-31-106(93,94)95)71-57(86)46(28-36(3)4)73-58(87)47(29-39-13-8-7-9-14-39)74-54(83)42(68-53(45)82)18-24-63-32-107(96,97)98;1-6-7-8-9-13-16-48(79)67-40(17-23-61-31-105(90,91)92)55(84)76-50(38(5)78)60(89)72-43(20-26-64-34-108(99,100)101)52(81)70-45-22-28-66-59(88)49(37(4)77)75-56(85)44(21-27-65-35-109(102,103)104)69-51(80)41(18-24-62-32-106(93,94)95)71-57(86)46(29-36(2)3)73-58(87)47(30-39-14-11-10-12-15-39)74-54(83)42(68-53(45)82)19-25-63-33-107(96,97)98/h8-10,14-15,36-39,41-48,50-51,62-66,78-79H,7,11-13,16-35H2,1-6H3,(H,67,89)(H,68,80)(H,69,83)(H,70,81)(H,71,82)(H,72,87)(H,73,90)(H,74,88)(H,75,84)(H,76,86)(H,77,85)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105);7-9,13-14,35-38,40-47,49-50,61-65,77-78H,10-12,15-34H2,1-6H3,(H,66,88)(H,67,79)(H,68,82)(H,69,80)(H,70,81)(H,71,86)(H,72,89)(H,73,87)(H,74,83)(H,75,85)(H,76,84)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104);10-12,14-15,36-38,40-47,49-50,61-65,77-78H,6-9,13,16-35H2,1-5H3,(H,66,88)(H,67,79)(H,68,82)(H,69,80)(H,70,81)(H,71,86)(H,72,89)(H,73,87)(H,74,83)(H,75,85)(H,76,84)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)/t37-,38+,39-,41-,42-,43-,44-,45-,46-,47-,48+,50-,51-;2*37-,38+,40+,41+,42+,43+,44+,45+,46+,47-,49+,50+/m011/s1
InChIKeyFWZKELXZSNUJHM-TUXZYBIUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
sulfomyxin free acid (CHEBI:758100) is a polypeptide (CHEBI:15841)