(Q105031900)

English

HPVDPNOXNZKNAU-CRNXWWIHSA-O

group of stereoisomers with the chemical formula C₄₂H₇₀N₁₈O₁₈PS⁺

In more languages

Statements

group of stereoisomers

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1,177.45683145009 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₀N₁₈O₁₈PS⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CSCCC(NC=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)N[P+](O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(C)O

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isomeric SMILES

CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[P+](O)(OCCCN)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](C)O

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Escherichia coli

1 reference

Chemical structure and translation inhibition studies of the antibiotic microcin C7.

Identifiers

InChI=1S/C42H69N18O18PS/c1-19(35(69)57-24(13-28(65)66)39(73)59-79(75,76-10-5-8-43)77-15-25-31(67)32(68)41(78-25)60-17-52-30-33(45)50-16-51-34(30)60)54-38(72)23(12-26(44)63)55-27(64)14-49-40(74)29(20(2)62)58-37(71)22(6-4-9-48-42(46)47)56-36(70)21(53-18-61)7-11-80-3/h16-25,29,31-32,41,62,67-68,75H,4-15,43H2,1-3H3,(H16-,44,45,46,47,48,49,50,51,53,54,55,56,57,58,59,61,63,64,65,66,69,70,71,72,73,74)/p+1/t19-,20+,21-,22-,23-,24-,25+,29-,31+,32+,41+,79?/m0/s1

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HPVDPNOXNZKNAU-CRNXWWIHSA-O

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2 references

15 September 2022

matched by identifier from

HPVDPNOXNZKNAU-CRNXWWIHSA-O

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C42H69N18O18PS/c1-19(35(69)57-24(13-28(65)66)39(73)59-79(75,76-10-5-8-43)77-15-25-31(67)32(68)41(78-25)60-17-52-30-33(45)50-16-51-34(30)60)54-38(72)23(12-26(44)63)55-27(64)14-49-40(74)29(20(2)62)58-37(71)22(6-4-9-48-42(46)47)56-36(70)21(53-18-61)7-11-80-3/h16-25,29,31-32,41,62,67-68,75H,4-15,43H2,1-3H3,(H16-,44,45,46,47,48,49,50,51,53,54,55,56,57,58,59,61,63,64,65,66,69,70,71,72,73,74)/p+1/t19-,20+,21-,22-,23-,24-,25+,29-,31+,32+,41+,79?/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HPVDPNOXNZKNAU-CRNXWWIHSA-O

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