(Q105167954)

English

Fuscachelin C

chemical compound

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instance of

type of chemical entity

0 references

subclass of

MMPMJMJQRDAXEQ-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from SMILES

mass

1,046.452969904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₂N₁₆O₁₆

0 references

canonical SMILES

N=C(N)NCCCC(NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)NC(CCCN(O)C(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)c1cccc(O)c1O)C(N)=O

0 references

isomeric SMILES

N=C(N)NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN(O)C(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)c1cccc(O)c1O)C(N)=O

0 references

found in taxon

Thermobifida fusca

1 reference

stated in

Structure elucidation and biosynthesis of fuscachelins, peptide siderophores from the moderate thermophile Thermobifida fusca

Identifiers

InChI

InChI=1S/C42H62N16O16/c43-35(68)23(54-31(64)18-50-29(62)16-52-38(71)24(8-3-13-48-41(44)45)56-36(69)21-6-1-11-27(60)33(21)66)10-5-15-58(74)40(73)26(20-59)55-32(65)19-51-30(63)17-53-39(72)25(9-4-14-49-42(46)47)57-37(70)22-7-2-12-28(61)34(22)67/h1-2,6-7,11-12,23-26,59-61,66-67,74H,3-5,8-10,13-20H2,(H2,43,68)(H,50,62)(H,51,63)(H,52,71)(H,53,72)(H,54,64)(H,55,65)(H,56,69)(H,57,70)(H4,44,45,48)(H4,46,47,49)/t23-,24+,25+,26-/m0/s1

0 references

InChIKey

MMPMJMJQRDAXEQ-QUMGSSFMSA-N

0 references

2 references

15 September 2022

matched by identifier from

InChIKey

MMPMJMJQRDAXEQ-QUMGSSFMSA-N

ChEBI ID

219817

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H62N16O16/c43-35(68)23(54-31(64)18-50-29(62)16-52-38(71)24(8-3-13-48-41(44)45)56-36(69)21-6-1-11-27(60)33(21)66)10-5-15-58(74)40(73)26(20-59)55-32(65)19-51-30(63)17-53-39(72)25(9-4-14-49-42(46)47)57-37(70)22-7-2-12-28(61)34(22)67/h1-2,6-7,11-12,23-26,59-61,66-67,74H,3-5,8-10,13-20H2,(H2,43,68)(H,50,62)(H,51,63)(H,52,71)(H,53,72)(H,54,64)(H,55,65)(H,56,69)(H,57,70)(H4,44,45,48)(H4,46,47,49)/t23-,24+,25+,26-/m0/s1

1 reference

Natural Product Atlas ID

NPA020355

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MMPMJMJQRDAXEQ-QUMGSSFMSA-N

(Q105167954)

Fuscachelin C

Statements

Identifiers

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