(Q75055347)

English

Microcin C51

bioactive natural product

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Statements

group of stereoisomers

0 references

purine alkaloid

0 references

1,177.433570586 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₈N₁₇O₁₉PS

0 references

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)NCCCOP(=O)(O)OCC1OC(n2cnc3ncncc32)C(O)C1O)C(=O)O)C(C)ON

0 references

isomeric 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)NCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3ncncc32)C(O)C1O)C(=O)O)[C@@H](C)ON

0 references

Escherichia coli

1 reference

Structure of microcin C51, a new antibiotic with a broad spectrum of activity.

Identifiers

InChI=1S/C42H68N17O19PS/c1-20(35(66)57-25(41(71)72)13-29(62)48-9-5-10-75-79(73,74)76-16-27-32(64)33(65)40(77-27)59-18-52-34-26(59)14-47-17-51-34)54-38(69)24(12-28(43)61)55-30(63)15-50-39(70)31(21(2)78-46)58-37(68)23(6-4-8-49-42(44)45)56-36(67)22(53-19-60)7-11-80-3/h14,17-25,27,31-33,40,64-65H,4-13,15-16,46H2,1-3H3,(H2,43,61)(H,48,62)(H,50,70)(H,53,60)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,71,72)(H,73,74)(H4,44,45,49)/t20?,21-,22?,23?,24?,25?,27-,31?,32?,33?,40-/m1/s1

0 references

FADUSUVPDLFLTR-ILMTYNHGSA-N

0 references

2 references

language of work or name

matched by identifier from

FADUSUVPDLFLTR-ILMTYNHGSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C42H68N17O19PS/c1-20(35(66)57-25(41(71)72)13-29(62)48-9-5-10-75-79(73,74)76-16-27-32(64)33(65)40(77-27)59-18-52-34-26(59)14-47-17-51-34)54-38(69)24(12-28(43)61)55-30(63)15-50-39(70)31(21(2)78-46)58-37(68)23(6-4-8-49-42(44)45)56-36(67)22(53-19-60)7-11-80-3/h14,17-25,27,31-33,40,64-65H,4-13,15-16,46H2,1-3H3,(H2,43,61)(H,48,62)(H,50,70)(H,53,60)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,71,72)(H,73,74)(H4,44,45,49)/t20?,21-,22?,23?,24?,25?,27-,31?,32?,33?,40-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FADUSUVPDLFLTR-ILMTYNHGSA-N

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