(Q105341923)

English

Pinensin A

chemical compound

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default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

biogenic cyclopeptide

0 references

imidazole alkaloid

0 references

2,143.956778744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉₃H₁₃₇N₂₇O₂₈S₂

0 references

canonical SMILES

CC=C1NC(=O)C(=CC)NC(=O)C2CSC(C)C(NC(=O)C(Cc3cnc[nH]3)NC(=O)C(=CC)NC(=O)C3CCCN3C(=O)C(N)Cc3cnc[nH]3)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc3cnc[nH]3)C(=O)NC(CC(C)C)C(=O)N2)C(C)SCC(C(=O)NC(C)C(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC1=O

0 references

isomeric SMILES

C/C=C1\NC(=O)/C(=C/C)NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)/C(=C/C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)SC[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC1=O

0 references

Chitinophaga pinensis

1 reference

Pinensins: the first antifungal lantibiotics

Identifiers

InChI=1S/C93H137N27O28S2/c1-16-43(10)70-88(142)114-62(84(138)103-46(13)93(147)148)36-149-47(14)72-90(144)112-61(31-68(126)127)82(136)111-60(30-67(124)125)81(135)108-56(23-24-66(122)123)75(129)98-35-65(121)104-58(28-50-33-96-39-100-50)80(134)109-57(26-41(6)7)79(133)113-63(85(139)106-53(18-3)76(130)105-55(20-5)78(132)116-71(44(11)17-2)89(143)117-70)37-150-48(15)73(91(145)115-69(42(8)9)87(141)102-45(12)74(128)118-72)119-83(137)59(29-51-34-97-40-101-51)110-77(131)54(19-4)107-86(140)64-22-21-25-120(64)92(146)52(94)27-49-32-95-38-99-49/h18-20,32-34,38-48,52,56-64,69-73H,16-17,21-31,35-37,94H2,1-15H3,(H,95,99)(H,96,100)(H,97,101)(H,98,129)(H,102,141)(H,103,138)(H,104,121)(H,105,130)(H,106,139)(H,107,140)(H,108,135)(H,109,134)(H,110,131)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,115,145)(H,116,132)(H,117,143)(H,118,128)(H,119,137)(H,122,123)(H,124,125)(H,126,127)(H,147,148)/b53-18-,54-19-,55-20-/t43-,44-,45-,46-,47+,48-,52-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73+/m0/s1

0 references

XTTVRTRTRBWWOP-SKCHWBJJSA-N

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2 references

15 September 2022

matched by identifier from

XTTVRTRTRBWWOP-SKCHWBJJSA-N

2 references

15 September 2022

matched by identifier from

XTTVRTRTRBWWOP-SKCHWBJJSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C93H137N27O28S2/c1-16-43(10)70-88(142)114-62(84(138)103-46(13)93(147)148)36-149-47(14)72-90(144)112-61(31-68(126)127)82(136)111-60(30-67(124)125)81(135)108-56(23-24-66(122)123)75(129)98-35-65(121)104-58(28-50-33-96-39-100-50)80(134)109-57(26-41(6)7)79(133)113-63(85(139)106-53(18-3)76(130)105-55(20-5)78(132)116-71(44(11)17-2)89(143)117-70)37-150-48(15)73(91(145)115-69(42(8)9)87(141)102-45(12)74(128)118-72)119-83(137)59(29-51-34-97-40-101-51)110-77(131)54(19-4)107-86(140)64-22-21-25-120(64)92(146)52(94)27-49-32-95-38-99-49/h18-20,32-34,38-48,52,56-64,69-73H,16-17,21-31,35-37,94H2,1-15H3,(H,95,99)(H,96,100)(H,97,101)(H,98,129)(H,102,141)(H,103,138)(H,104,121)(H,105,130)(H,106,139)(H,107,140)(H,108,135)(H,109,134)(H,110,131)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,115,145)(H,116,132)(H,117,143)(H,118,128)(H,119,137)(H,122,123)(H,124,125)(H,126,127)(H,147,148)/b53-18-,54-19-,55-20-/t43-,44-,45-,46-,47+,48-,52-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73+/m0/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XTTVRTRTRBWWOP-SKCHWBJJSA-N

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